Species |
Name |
Energy (hartree) |
Fine Grid |
Ultrafine Grid |
Difference |
HBS |
hydrogen boron sulfide |
-423.653930 |
-421.551287 |
-2.102643 |
C5H8 |
1,3-Pentadiene, (Z)- |
-195.309811 |
-195.306583 |
-0.003228 |
C3H6O |
2-Propen-1-ol |
-193.110845 |
-193.107846 |
-0.002998 |
C10H16 |
adamantane |
-390.726007 |
-390.725385 |
-0.000622 |
C5H11 |
2-Methylbut-2-yl radical |
-197.110179 |
-197.110065 |
-0.000114 |
C5H12 |
Propane, 2,2-dimethyl- |
-197.773090 |
-197.772982 |
-0.000108 |
C8H8 |
cubane |
-309.460466 |
-309.460385 |
-0.000081 |
F2 |
Fluorine diatomic |
-199.498324 |
-199.498252 |
-0.000071 |
C7H12 |
Norbornane |
-273.968491 |
-273.968419 |
-0.000071 |
ClF |
Chlorine monofluoride |
-559.942766 |
-559.942696 |
-0.000070 |
SF |
Monosulfur monofluoride |
-497.948872 |
-497.948813 |
-0.000058 |
KH |
Potassium hydride |
-600.455300 |
-600.455243 |
-0.000057 |
AlF |
Aluminum monofluoride |
-342.334211 |
-342.334155 |
-0.000056 |
Cl2 |
Chlorine diatomic |
-920.349934 |
-920.349879 |
-0.000055 |
Si(CH3)4 |
tetramethylsilane |
-449.191778 |
-449.191724 |
-0.000055 |
S8 |
Octasulfur |
-3,185.550545 |
-3,185.550494 |
-0.000051 |
S2Cl2 |
Disulfur dichloride |
-1,716.758923 |
-1,716.758872 |
-0.000051 |
SiF |
silicon monofluoride |
-389.304278 |
-389.304229 |
-0.000048 |
C5H12S |
Propane, 2-methyl-2-(methylthio)- |
-595.955941 |
-595.955893 |
-0.000048 |
KCl |
Potassium Chloride |
-1,060.172006 |
-1,060.171959 |
-0.000047 |
N2F2 |
(Z)-Difluorodiazene |
-309.012460 |
-309.012413 |
-0.000047 |
NaCl |
Sodium Chloride |
-622.560344 |
-622.560298 |
-0.000046 |
MgF |
Magnesium monofluoride |
-299.957640 |
-299.957594 |
-0.000046 |
C4H8O |
Furan, tetrahydro- |
-232.449492 |
-232.449446 |
-0.000045 |
C5H12S |
Propane, 2-(ethylthio)- |
-595.955802 |
-595.955758 |
-0.000044 |
K |
Potassium atom |
-599.890422 |
-599.890378 |
-0.000044 |
PF |
phosphorus monofluoride |
-441.141751 |
-441.141709 |
-0.000043 |
C5H11Cl |
Pentane, 1-chloro- |
-657.367678 |
-657.367636 |
-0.000043 |
ClF3 |
Chlorine trifluoride |
-759.465356 |
-759.465317 |
-0.000039 |
Mg |
Magnesium atom |
-200.079396 |
-200.079359 |
-0.000037 |
SF2 |
sulfur difluoride |
-597.798134 |
-597.798097 |
-0.000037 |
C5H10S |
Thiophene, tetrahydro-2-methyl- |
-594.752329 |
-594.752294 |
-0.000035 |
C5H12S |
1-Pentanethiol |
-595.954241 |
-595.954207 |
-0.000034 |
C6H10 |
Bicyclo[3.1.0]hexane |
-234.630826 |
-234.630793 |
-0.000032 |
C5H9N |
1,2,3,6-Tetrahydropyridine |
-250.670863 |
-250.670831 |
-0.000032 |
KBr |
Potassium Bromide |
-3,171.687330 |
-3,171.687299 |
-0.000031 |
C6H14 |
Butane, 2,2-dimethyl- |
-237.083702 |
-237.083672 |
-0.000030 |
C5H12O |
2-Butanol, 3-methyl- |
-272.979782 |
-272.979752 |
-0.000030 |
MgCl |
magnesium monochloride |
-660.328689 |
-660.328659 |
-0.000030 |
C5H12S |
2-Butanethiol, 3-methyl- |
-595.952788 |
-595.952758 |
-0.000030 |
BCl3 |
Borane, trichloro- |
-1,405.562669 |
-1,405.562640 |
-0.000028 |
HOCl |
hypochlorous acid |
-535.943574 |
-535.943547 |
-0.000027 |
DOCl |
Hypochlorous acid-d |
-535.943574 |
-535.943547 |
-0.000027 |
SiF4 |
Silicon tetrafluoride |
-689.108562 |
-689.108536 |
-0.000026 |
C6H12 |
2-Butene, 2,3-dimethyl- |
-235.856695 |
-235.856670 |
-0.000025 |
PF5 |
Phosphorus pentafluoride |
-840.676371 |
-840.676346 |
-0.000025 |
CH3CCl2CH3 |
Propane, 2,2-dichloro- |
-1,038.334484 |
-1,038.334460 |
-0.000025 |
CCl3 |
Trichloromethyl radical |
-1,418.623495 |
-1,418.623470 |
-0.000025 |
ClNO |
Nitrosyl chloride |
-590.085233 |
-590.085208 |
-0.000025 |
S3 |
Sulfur trimer |
-1,194.542673 |
-1,194.542649 |
-0.000023 |
C10H8 |
naphthalene |
-385.892730 |
-385.892707 |
-0.000023 |
ClS2 |
Sulfur chloride |
-1,256.557013 |
-1,256.556990 |
-0.000023 |
C4H11NO |
Diethylhydroxylamine |
-288.962560 |
-288.962538 |
-0.000023 |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,s*)- |
-1,077.651772 |
-1,077.651750 |
-0.000022 |
C4H9N |
Pyrrolidine |
-212.581750 |
-212.581728 |
-0.000022 |
C5H12O |
2-Pentanol |
-272.979624 |
-272.979603 |
-0.000021 |
AlCl |
Aluminum monochloride |
-702.687361 |
-702.687340 |
-0.000021 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
-320.059653 |
-320.059633 |
-0.000020 |
CH2ClCHClCH3 |
Propane, 1,2-dichloro- |
-1,038.336373 |
-1,038.336353 |
-0.000020 |
C4H8O2 |
1,3-Dioxane |
-307.666287 |
-307.666267 |
-0.000020 |
N2O4 |
Dinitrogen tetroxide |
-410.168259 |
-410.168239 |
-0.000020 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
-319.957186 |
-319.957166 |
-0.000019 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
-320.065977 |
-320.065957 |
-0.000019 |
C6H14 |
Pentane, 2-methyl- |
-237.084759 |
-237.084740 |
-0.000019 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
-319.915450 |
-319.915431 |
-0.000019 |
PF3 |
Phosphorus trifluoride |
-640.956458 |
-640.956440 |
-0.000019 |
CHOCH(CH3)CH3 |
Propanal, 2-methyl- |
-232.458088 |
-232.458069 |
-0.000019 |
C6H14 |
Hexane |
-237.085499 |
-237.085480 |
-0.000019 |
C5H12 |
Pentane |
-197.771782 |
-197.771763 |
-0.000019 |
C(NH2)H2CH2CH2CH3 |
1-Butanamine |
-213.798213 |
-213.798195 |
-0.000018 |
CF4 |
Carbon tetrafluoride |
-437.476291 |
-437.476273 |
-0.000018 |
CH3CCl3 |
Ethane, 1,1,1-trichloro- |
-1,458.599021 |
-1,458.599003 |
-0.000018 |
Ar |
Argon atom |
-527.517142 |
-527.517124 |
-0.000018 |
C5H10S |
3-Ethylthio-1-propene |
-594.716149 |
-594.716131 |
-0.000018 |
CH3C(CH3)ClCH3 |
Propane, 2-chloro-2-methyl- |
-618.059615 |
-618.059598 |
-0.000018 |
C4H6OS |
Dihydro-2-(3H)-thiophenone |
-629.460878 |
-629.460861 |
-0.000017 |
AlFCl2 |
Aluminum dichloride fluoride |
-1,262.880797 |
-1,262.880780 |
-0.000017 |
C5H8 |
Bicyclo[2.1.0]pentane |
-195.280246 |
-195.280229 |
-0.000017 |
C6H10 |
Cyclopentene, 4-methyl- |
-234.642063 |
-234.642046 |
-0.000017 |
C4H10OS |
Diethyl sulfoxide |
-631.816375 |
-631.816359 |
-0.000017 |
CH2ClCHCHCH3 |
2-Butene, 1-chloro- |
-616.819196 |
-616.819179 |
-0.000016 |
CH3CHClCH3 |
Propane, 2-chloro- |
-578.743621 |
-578.743604 |
-0.000016 |
C6H12 |
1-Butene, 2,3-dimethyl- |
-235.851900 |
-235.851884 |
-0.000016 |
C3H5ClO2 |
Carbonochloridic acid, ethyl ester |
-727.977305 |
-727.977289 |
-0.000016 |
C5H10 |
Cyclopropane, 1,1-dimethyl- |
-196.528817 |
-196.528801 |
-0.000016 |
C4H4N2 |
Pyrazine |
-264.317235 |
-264.317220 |
-0.000015 |
C6H5CHCH2 |
Styrene |
-309.648272 |
-309.648256 |
-0.000015 |
C6H8 |
3-Methylenecyclopentene |
-233.418239 |
-233.418224 |
-0.000015 |
C4H9N |
Cyclobutylamine |
-212.556926 |
-212.556911 |
-0.000015 |
CH3CHFCl |
Ethane, 1-chloro-1-fluoro- |
-638.656600 |
-638.656585 |
-0.000015 |
C6H5NO2 |
Nitrobenzene |
-436.750585 |
-436.750570 |
-0.000015 |
C3H8O2S |
(Methylsulphonyl)ethane |
-667.716485 |
-667.716471 |
-0.000014 |
C6H5CHO |
benzaldehyde |
-345.573456 |
-345.573442 |
-0.000014 |
CFCl3 |
Trichloromonofluoromethane |
-1,518.504917 |
-1,518.504903 |
-0.000014 |
Si2H6 |
disilane |
-582.582745 |
-582.582731 |
-0.000014 |
Cl |
Chlorine atom |
-460.136256 |
-460.136242 |
-0.000014 |
C4H8S |
Thiophene, tetrahydro- |
-555.436600 |
-555.436586 |
-0.000013 |
BHCl2 |
Borane, dichloro- |
-945.920209 |
-945.920195 |
-0.000013 |
C4H8O2 |
Ethene, 1,1-dimethoxy- |
-307.641648 |
-307.641635 |
-0.000013 |
C6H10 |
2,4-Hexadiene, (E,Z)- |
-234.629752 |
-234.629739 |
-0.000013 |
C4H10O |
1-Butanol |
-233.661478 |
-233.661465 |
-0.000013 |
C5H8O |
Furan, 2,3-dihydro-5-methyl- |
-270.546321 |
-270.546308 |
-0.000013 |
C4H8Cl2 |
Butane, 1,3-dichloro- |
-1,077.651123 |
-1,077.651110 |
-0.000013 |
C6H5CH3 |
toluene |
-271.566650 |
-271.566638 |
-0.000013 |
CHCl3 |
Chloroform |
-1,419.279123 |
-1,419.279110 |
-0.000012 |
C6H6 |
Benzene |
-232.248661 |
-232.248649 |
-0.000012 |
CH2FCl |
fluorochloromethane |
-599.331955 |
-599.331943 |
-0.000012 |
C5H5N |
Pyridine |
-248.284973 |
-248.284961 |
-0.000012 |
N(CH3)3 |
Trimethylamine |
-174.474414 |
-174.474402 |
-0.000012 |
C6H14 |
Pentane, 3-methyl- |
-237.083238 |
-237.083226 |
-0.000012 |
C4H10O2 |
1,3-Butanediol |
-308.870292 |
-308.870280 |
-0.000012 |
C6H10 |
1,3-Hexadiene, (Z)- |
-234.617844 |
-234.617832 |
-0.000012 |
LiOH |
lithium hydroxide |
-83.367979 |
-83.367967 |
-0.000011 |
CH2CHCl |
Ethene, chloro- |
-538.185403 |
-538.185391 |
-0.000011 |
C5H7N |
(E)-2-Pentenenitrile |
-249.466967 |
-249.466956 |
-0.000011 |
C6H8 |
Bicyclo(3.1.0)hex-2-ene |
-233.397775 |
-233.397764 |
-0.000011 |
CHOCH2CH2CH3 |
Butanal |
-232.458976 |
-232.458965 |
-0.000011 |
C6H8 |
Bicyclo[2.1.1]hex-2-ene |
-233.365008 |
-233.364997 |
-0.000011 |
C5H10O |
Oxetane, 3,3-dimethyl- |
-271.737983 |
-271.737972 |
-0.000011 |
C5H10S |
Cyclopentanethiol |
-594.742320 |
-594.742309 |
-0.000011 |
C2H3NO3 |
Oxamic acid |
-358.455906 |
-358.455896 |
-0.000011 |
C4H10O |
Ethoxy ethane |
-233.663460 |
-233.663449 |
-0.000011 |
C3H5Cl3 |
Propane, 1,2,3-trichloro- |
-1,497.920731 |
-1,497.920720 |
-0.000010 |
SCl |
sulfur monochloride |
-858.337608 |
-858.337598 |
-0.000010 |
C5H12O |
1-Pentanol |
-272.974859 |
-272.974849 |
-0.000010 |
CCl2O |
Phosgene |
-1,033.714382 |
-1,033.714372 |
-0.000010 |
H2OCH3OCH3 |
water dimethylether dimer |
-231.567064 |
-231.567054 |
-0.000010 |
C6H5OH |
phenol |
-307.464871 |
-307.464860 |
-0.000010 |
C4H5NO |
3-Methylisoxazole |
-285.357334 |
-285.357324 |
-0.000010 |
CH2Cl2 |
Methylene chloride |
-959.696357 |
-959.696347 |
-0.000010 |
SiH3F |
monofluorosilane |
-391.180559 |
-391.180549 |
-0.000010 |
NH(CH3)CONH(CH3) |
Urea, N,N'-dimethyl- |
-303.878951 |
-303.878941 |
-0.000010 |
PO2 |
Phosphorus dioxide |
-491.770891 |
-491.770881 |
-0.000009 |
C5H10 |
Cyclopentane |
-196.557076 |
-196.557067 |
-0.000009 |
C4H10O |
Methyl propyl ether |
-233.658217 |
-233.658208 |
-0.000009 |
HCOOHH2O |
Formic acid water dimer |
-266.320802 |
-266.320793 |
-0.000009 |
CH2ClCH2CH2CH3 |
Butane, 1-chloro- |
-618.053851 |
-618.053842 |
-0.000009 |
FNO3 |
Fluorine nitrate |
-379.991913 |
-379.991904 |
-0.000009 |
C2Cl2 |
dichloroacetylene |
-996.499042 |
-996.499033 |
-0.000009 |
C6H10 |
1,3-Hexadiene, (E)- |
-234.624868 |
-234.624859 |
-0.000009 |
SSO |
Disulfur monoxide |
-871.555513 |
-871.555504 |
-0.000009 |
C3H8S2 |
1,3-Propanedithiol |
-915.507680 |
-915.507672 |
-0.000009 |
HCOOHH2O |
Formic acid water dimer |
-266.226691 |
-266.226682 |
-0.000009 |
CH3C(SCH3)HCH3 |
Propane, 2-(methylthio)- |
-556.642774 |
-556.642766 |
-0.000009 |
C(CH3)3 |
Tert-butyl radical |
-157.798326 |
-157.798317 |
-0.000009 |
C5H10O |
3-Pentanone |
-271.785165 |
-271.785157 |
-0.000008 |
C6H10 |
Cyclopentene, 3-methyl- |
-234.642186 |
-234.642177 |
-0.000008 |
Cl3PO |
Phosphoryl chloride |
-1,797.233524 |
-1,797.233515 |
-0.000008 |
D2S |
Hydrogen sulfide-d2 |
-399.385441 |
-399.385433 |
-0.000008 |
C4H6O2 |
2-Propenoic acid, methyl ester |
-306.467760 |
-306.467752 |
-0.000008 |
C5H12O |
Propane, 2-methoxy-2-methyl- |
-272.974778 |
-272.974769 |
-0.000008 |
C5H12O |
1-Butanol, 2-methyl- |
-272.974127 |
-272.974119 |
-0.000008 |
C6H5NH2 |
aniline |
-287.601761 |
-287.601753 |
-0.000008 |
HCOOHH2O |
Formic acid water dimer |
-266.326138 |
-266.326130 |
-0.000008 |
C4H8O2 |
1,3-Dioxolane, 2-methyl- |
-307.668604 |
-307.668596 |
-0.000008 |
C5H6 |
3-Penten-1-yne, (E)- |
-194.054693 |
-194.054685 |
-0.000008 |
CH3CH(CH3)ONO |
Iso-propyl nitrite |
-323.643721 |
-323.643713 |
-0.000008 |
H2OCH3OCH3 |
water dimethylether dimer |
-231.484980 |
-231.484972 |
-0.000008 |
C2H5N |
Aziridine |
-133.919400 |
-133.919392 |
-0.000008 |
CH3CH2NH2 |
Ethylamine |
-135.170732 |
-135.170725 |
-0.000008 |
CH3CH2Cl |
Ethyl chloride |
-539.426266 |
-539.426259 |
-0.000007 |
C6H5Cl |
chlorobenzene |
-691.844974 |
-691.844967 |
-0.000007 |
C4H8OS |
s-Ethyl thioacetate |
-630.660602 |
-630.660594 |
-0.000007 |
CH2CH(CH3)2 |
Isobutyl radical |
-157.785653 |
-157.785645 |
-0.000007 |
C3H5Cl |
1-Propene, 3-chloro- |
-577.501371 |
-577.501363 |
-0.000007 |
CH3OC2H5 |
Ethane, methoxy- |
-194.344307 |
-194.344299 |
-0.000007 |
C5H9N |
Pentanenitrile |
-250.696706 |
-250.696699 |
-0.000007 |
C6H10 |
2-Hexyne |
-234.606626 |
-234.606619 |
-0.000007 |
C5H8 |
1,4-Pentadiene |
-195.297767 |
-195.297760 |
-0.000007 |
H2OHCOOH |
Water formic acid dimer 1 |
-266.214799 |
-266.214792 |
-0.000007 |
C6H5F |
Fluorobenzene |
-331.482299 |
-331.482292 |
-0.000007 |
Cl2O |
Dichlorine monoxide |
-995.478364 |
-995.478358 |
-0.000007 |
CH3CHOHCH3 |
Isopropyl alcohol |
-194.353317 |
-194.353310 |
-0.000007 |
H2OHCOOH |
Water formic acid dimer 1 |
-266.172059 |
-266.172052 |
-0.000007 |
HCOOHH2O |
Formic acid water dimer |
-266.188728 |
-266.188722 |
-0.000007 |
SiCl |
Clorosilylidyne |
-749.661192 |
-749.661186 |
-0.000006 |
C4H8Cl2 |
Butane, 2,3-dichloro-, (r*,r*)-(.+/-.)- |
-1,077.652120 |
-1,077.652114 |
-0.000006 |
NH2CH2CH2CH3 |
1-Propanamine |
-174.484593 |
-174.484587 |
-0.000006 |
CH3C(SH)HCH2CH3 |
2-Butanethiol |
-556.641959 |
-556.641953 |
-0.000006 |
C2HF3 |
Trifluoroethylene |
-376.273233 |
-376.273227 |
-0.000006 |
F2O |
Difluorine monoxide |
-274.649856 |
-274.649850 |
-0.000006 |
NH2CONHC2H5 |
Urea, ethyl- |
-303.884328 |
-303.884322 |
-0.000006 |
C4H10S2 |
1,4-Butanedithiol |
-954.822294 |
-954.822288 |
-0.000006 |
CH2CHOCHCH2 |
Vinyl ether |
-231.196369 |
-231.196363 |
-0.000006 |
CH3CH2OH |
Ethanol |
-155.033805 |
-155.033799 |
-0.000006 |
C5H8 |
1,3-Butadiene, 2-methyl- |
-195.310453 |
-195.310447 |
-0.000006 |
CH2C(CH3)OCH3 |
1-Propene, 2-methoxy- |
-232.428803 |
-232.428798 |
-0.000006 |
C(CH3)3SH |
2-Propanethiol, 2-methyl- |
-556.643017 |
-556.643011 |
-0.000006 |
CH3N5 |
5-Aminotetrazole |
-313.608833 |
-313.608827 |
-0.000006 |
C5H8 |
Ethenylcyclopropane |
-195.291780 |
-195.291775 |
-0.000006 |
C2H4N4 |
1H-Tetrazole, 5-methyl- |
-297.575910 |
-297.575904 |
-0.000006 |
CH2CHOH |
ethenol |
-153.805678 |
-153.805672 |
-0.000006 |
C5H8O |
Methyl cyclopropyl ketone |
-270.544099 |
-270.544093 |
-0.000006 |
C5H8O |
2H-Pyran, 3,4-dihydro- |
-270.544374 |
-270.544369 |
-0.000006 |
C3H8 |
Propane |
-119.144248 |
-119.144243 |
-0.000006 |
CH2CHCHClCH3 |
1-Butene, 3-chloro- |
-616.819023 |
-616.819018 |
-0.000005 |
C2F2 |
difluoroacetylene |
-275.736722 |
-275.736717 |
-0.000005 |
C6H10 |
1,4-Hexadiene, (E)- |
-234.616397 |
-234.616391 |
-0.000005 |
C2H6O3S |
Sulfurous acid, dimethyl ester |
-703.613580 |
-703.613575 |
-0.000005 |
C5H12S |
1-Propanethiol, 2,2-dimethyl- |
-595.952778 |
-595.952772 |
-0.000005 |
CH3CH2SH |
ethanethiol |
-478.012896 |
-478.012890 |
-0.000005 |
PN |
Phosphorus mononitride |
-396.061835 |
-396.061830 |
-0.000005 |
SiH3 |
silyl |
-291.232268 |
-291.232263 |
-0.000005 |
CH4 |
Methane |
-40.518389 |
-40.518383 |
-0.000005 |
C5H10 |
2-Pentene, (Z)- |
-196.538122 |
-196.538117 |
-0.000005 |
CH3SiH3 |
methyl silane |
-331.210877 |
-331.210872 |
-0.000005 |
C6H5CH2CH3 |
Ethylbenzene |
-310.880231 |
-310.880226 |
-0.000005 |
C6H5 |
phenyl |
-231.561281 |
-231.561276 |
-0.000005 |
C3H6O |
Propylene oxide |
-193.108518 |
-193.108513 |
-0.000005 |
BF |
Boron monofluoride |
-124.658039 |
-124.658034 |
-0.000005 |
SiH2 |
silicon dihydride |
-290.613149 |
-290.613144 |
-0.000005 |
C5H10 |
1-Butene, 2-methyl- |
-196.539591 |
-196.539586 |
-0.000005 |
PCl |
phosphorus chloride |
-801.511590 |
-801.511586 |
-0.000004 |
C5H8 |
Cyclopentene |
-195.327142 |
-195.327137 |
-0.000004 |
NS |
Mononitrogen monosulfide |
-452.858661 |
-452.858657 |
-0.000004 |
CHOCH2OH |
hydroxy acetaldehyde |
-229.035797 |
-229.035793 |
-0.000004 |
HCONH2CN2H4 |
formamide aminomethanimine dimer |
-318.158728 |
-318.158724 |
-0.000004 |
AlF2Cl |
Aluminum chloride difluoride |
-902.526407 |
-902.526403 |
-0.000004 |
C3H3N3 |
1,3,5-Triazine |
-280.364775 |
-280.364770 |
-0.000004 |
C3H6 |
Cyclopropane |
-117.895207 |
-117.895203 |
-0.000004 |
C5H8 |
1,2-Pentadiene |
-195.289464 |
-195.289460 |
-0.000004 |
CH3OCHO |
methyl formate |
-229.063014 |
-229.063010 |
-0.000004 |
BeO |
beryllium oxide |
-89.900370 |
-89.900366 |
-0.000004 |
C5H8O |
Cyclopentanone |
-270.572827 |
-270.572823 |
-0.000004 |
CH3CONH2 |
Acetamide |
-209.212203 |
-209.212199 |
-0.000004 |
CS2 |
Carbon disulfide |
-834.488872 |
-834.488868 |
-0.000004 |
CH3OCH2CN |
Methoxyacetonitrile |
-247.260453 |
-247.260449 |
-0.000004 |
HOF |
Hypofluorous acid |
-175.522486 |
-175.522482 |
-0.000004 |
C4H9NO |
Propanamide, 2-methyl- |
-287.841027 |
-287.841023 |
-0.000004 |
CH3NH2 |
methyl amine |
-95.853209 |
-95.853205 |
-0.000004 |
C3H5Cl |
1-chloro-1-propene(Z) |
-577.505510 |
-577.505506 |
-0.000004 |
H2OHCOOH |
Water formic acid dimer 1 |
-266.315132 |
-266.315129 |
-0.000004 |
HCl |
Hydrogen chloride |
-460.795700 |
-460.795696 |
-0.000004 |
DCl |
Hydrochloric acid-d |
-460.795700 |
-460.795696 |
-0.000004 |
Al2 |
Aluminum diatomic |
-484.780176 |
-484.780173 |
-0.000004 |
C2H4N4 |
1H-Tetrazole, 1-methyl- |
-297.567464 |
-297.567460 |
-0.000004 |
C2H4N2O2 |
Oxalamide |
-338.601301 |
-338.601298 |
-0.000004 |
C3H7N |
Cyclopropylamine |
-173.240289 |
-173.240285 |
-0.000004 |
C4H10O |
1-Propanol, 2-methyl- |
-233.662568 |
-233.662564 |
-0.000003 |
CH3COCH2CH3 |
2-Butanone |
-232.470559 |
-232.470556 |
-0.000003 |
CH3CH2CH2CH3 |
Butane |
-158.458047 |
-158.458044 |
-0.000003 |
C3H6O2 |
1,3-Dioxolane |
-268.344094 |
-268.344091 |
-0.000003 |
CH3CHCl2 |
Ethane, 1,1-dichloro- |
-999.016511 |
-999.016507 |
-0.000003 |
B2H6 |
Diborane |
-53.288287 |
-53.288284 |
-0.000003 |
DS |
Mercapto-d |
-398.740027 |
-398.740023 |
-0.000003 |
CH2CHCHCH2 |
1,3-Butadiene |
-155.992143 |
-155.992140 |
-0.000003 |
CHFCl2 |
fluorodichloromethane |
-1,058.922840 |
-1,058.922837 |
-0.000003 |
CH3PH2 |
Methyl phosphine |
-382.457778 |
-382.457775 |
-0.000003 |
CP |
Carbon monophosphide |
-379.293271 |
-379.293268 |
-0.000003 |
C3H6S3 |
Carbonotrithioic acid, dimethyl ester |
-1,312.497465 |
-1,312.497462 |
-0.000003 |
CH3OHH2O |
methanol water dimer |
-192.245634 |
-192.245631 |
-0.000003 |
C4H10O |
Ethanol, 1,1-dimethyl- |
-233.670958 |
-233.670955 |
-0.000003 |
C5H6S |
Thiophene, 3-methyl- |
-592.321520 |
-592.321517 |
-0.000003 |
CH2CHCONH2 |
Acrylamide |
-247.291558 |
-247.291555 |
-0.000003 |
CH2CHCH3 |
Propene |
-117.907562 |
-117.907559 |
-0.000003 |
C3H8O2 |
Propylene glycol |
-269.561338 |
-269.561335 |
-0.000003 |
C5H7N |
(Z)-2-Pentenenitrile |
-249.467462 |
-249.467459 |
-0.000003 |
H2OHCOOH |
Water formic acid dimer 1 |
-266.309603 |
-266.309600 |
-0.000003 |
OCS |
Carbonyl sulfide |
-511.535549 |
-511.535546 |
-0.000003 |
C4H12N2 |
2-Methyl-1,2-propanediamine |
-269.142915 |
-269.142913 |
-0.000003 |
BeOH |
beryllium hydroxide |
-90.566759 |
-90.566756 |
-0.000003 |
H2OCH3OH |
water methanol dimer |
-192.135333 |
-192.135330 |
-0.000003 |
H2CO |
Formaldehyde |
-113.861435 |
-113.861433 |
-0.000003 |
AlH |
aluminum monohydride |
-242.983019 |
-242.983016 |
-0.000003 |
C3H7SH |
1-Propanethiol |
-517.326702 |
-517.326699 |
-0.000003 |
BeS |
beryllium sulfide |
-412.897682 |
-412.897679 |
-0.000003 |
C4H4N2 |
Succinonitrile |
-264.301388 |
-264.301385 |
-0.000003 |
FCN |
Cyanogen fluoride |
-192.630950 |
-192.630947 |
-0.000003 |
C2H3CCH |
1-Buten-3-yne |
-154.733801 |
-154.733798 |
-0.000003 |
C4H4N2 |
1,3-Diazine |
-264.323726 |
-264.323724 |
-0.000003 |
C5H6 |
Bicyclo[2.1.0]pent-2-ene |
-194.024374 |
-194.024372 |
-0.000003 |
H2S |
Hydrogen sulfide |
-399.385435 |
-399.385433 |
-0.000003 |
FO |
Oxygen monofluoride |
-174.869582 |
-174.869580 |
-0.000003 |
H2OCH3OH |
water methanol dimer |
-192.250799 |
-192.250796 |
-0.000003 |
C4H4N2 |
Pyridazine |
-264.287588 |
-264.287586 |
-0.000003 |
BS |
boron sulfide |
-422.969848 |
-422.969845 |
-0.000003 |
CH3CClCHCH3 |
2-Butene, 2-chloro-, (Z)- |
-616.826253 |
-616.826250 |
-0.000002 |
PH3 |
Phosphine |
-343.140283 |
-343.140281 |
-0.000002 |
LiCl |
lithium chloride |
-467.796285 |
-467.796283 |
-0.000002 |
CHONH2 |
formamide |
-169.888843 |
-169.888841 |
-0.000002 |
N2H4 |
Hydrazine |
-111.856448 |
-111.856446 |
-0.000002 |
Mg2 |
Magnesium diatomic |
-400.159226 |
-400.159224 |
-0.000002 |
NH2CONH2 |
Urea |
-225.260458 |
-225.260456 |
-0.000002 |
CS |
carbon monosulfide |
-436.209305 |
-436.209303 |
-0.000002 |
H2OH2CO |
water formaldehyde dimer |
-190.953676 |
-190.953674 |
-0.000002 |
CH2CHF |
Ethene, fluoro- |
-177.819640 |
-177.819638 |
-0.000002 |
C(CH3)3NH2 |
2-Propanamine, 2-methyl- |
-213.803110 |
-213.803108 |
-0.000002 |
MgH2 |
magnesium dihydride |
-201.247234 |
-201.247232 |
-0.000002 |
CH3OHH2O |
methanol water dimer |
-192.249974 |
-192.249972 |
-0.000002 |
LiH |
Lithium Hydride |
-8.081923 |
-8.081921 |
-0.000002 |
C4H5NO |
Isoxazole, 5-methyl- |
-285.359310 |
-285.359308 |
-0.000002 |
CH3S |
thiomethoxy |
-438.059724 |
-438.059722 |
-0.000002 |
C4H8Cl2 |
1,4-Dichlorobutane |
-1,077.648319 |
-1,077.648317 |
-0.000002 |
C4H5N |
(Z)-2-Butenenitrile |
-210.154020 |
-210.154018 |
-0.000002 |
HSO3F |
Fluorosulfonic acid |
-724.222206 |
-724.222204 |
-0.000002 |
BeH2 |
beryllium dihydride |
-15.917469 |
-15.917467 |
-0.000002 |
C4H9NO |
Butanamide |
-287.840638 |
-287.840636 |
-0.000002 |
H2OCH3OH |
water methanol dimer |
-192.178895 |
-192.178893 |
-0.000002 |
CH2CHCHO |
Acrolein |
-191.911973 |
-191.911972 |
-0.000002 |
CHOCHCHCH3 |
2-Butenal |
-231.234183 |
-231.234182 |
-0.000002 |
CH3NO2 |
Methane, nitro- |
-245.009333 |
-245.009331 |
-0.000002 |
AlF3 |
Aluminum trifluoride |
-542.170252 |
-542.170250 |
-0.000002 |
CH2N4 |
1H-Tetrazole |
-258.250904 |
-258.250903 |
-0.000001 |
C4H5NS |
4-Methylthiazole |
-608.368503 |
-608.368501 |
-0.000001 |
CH3Cl |
Methyl chloride |
-500.108535 |
-500.108534 |
-0.000001 |
CHClCHCH2CH3 |
(E)-1-Chloro-1-butene |
-616.818931 |
-616.818929 |
-0.000001 |
C3H4N2 |
1H-Pyrazole |
-226.198601 |
-226.198599 |
-0.000001 |
CH3OHH2O |
methanol water dimer |
-192.178049 |
-192.178047 |
-0.000001 |
H2OH2CO |
water formaldehyde dimer |
-191.021229 |
-191.021228 |
-0.000001 |
NH2CH2CH2COOH |
β–alanine |
-323.740329 |
-323.740328 |
-0.000001 |
SiHCl3 |
Trichlorosilane |
-1,670.828417 |
-1,670.828415 |
-0.000001 |
CH3OHH2O |
methanol water dimer |
-191.071582 |
-191.071581 |
-0.000001 |
C2H5F |
fluoroethane |
-179.056423 |
-179.056422 |
-0.000001 |
BCl |
boron monochloride |
-484.978340 |
-484.978339 |
-0.000001 |
C3H5 |
Allyl radical |
-117.260352 |
-117.260351 |
-0.000001 |
CH3ONO |
Methyl nitrite |
-245.007960 |
-245.007959 |
-0.000001 |
H2OHCOOH |
Water formic acid dimer 2 |
-266.175587 |
-266.175586 |
-0.000001 |
H2OH2CO |
water formaldehyde dimer |
-190.920279 |
-190.920278 |
-0.000001 |
H2OH2O |
water dimer |
-151.972383 |
-151.972382 |
-0.000001 |
CH3NC |
methyl isocyanide |
-132.716573 |
-132.716572 |
-0.000001 |
C5H6 |
1-Buten-3-yne, 2-methyl- |
-194.052894 |
-194.052892 |
-0.000001 |
CH3OO |
methylperoxy radical |
-190.215231 |
-190.215230 |
-0.000001 |
CH3NHCH2COOH |
Sarcosine |
-323.730261 |
-323.730260 |
-0.000001 |
AlH3 |
aluminum trihydride |
-244.204660 |
-244.204659 |
-0.000001 |
H2OCH3OH |
water methanol dimer |
-192.246478 |
-192.246477 |
-0.000001 |
HCOOHH2O |
Formic acid water dimer |
-264.718539 |
-264.718538 |
-0.000001 |
C5H10 |
2-Butene, 2-methyl- |
-196.543579 |
-196.543578 |
-0.000001 |
NH3 |
Ammonia |
-56.229128 |
-56.229129 |
0.000001 |
C3H3N |
acrylonitrile |
-170.831551 |
-170.831552 |
0.000001 |
C3O2 |
Carbon suboxide |
-264.719971 |
-264.719972 |
0.000001 |
NO2 |
Nitrogen dioxide |
-205.072205 |
-205.072206 |
0.000001 |
C4H6OS |
Dihydro-3-(2H)-thiophenone |
-629.445682 |
-629.445683 |
0.000001 |
C4H6 |
1-Methylcyclopropene |
-155.944582 |
-155.944584 |
0.000001 |
NaH |
sodium hydride |
-162.852569 |
-162.852571 |
0.000001 |
C2H4N4 |
2H-Tetrazole, 2-methyl- |
-297.574406 |
-297.574407 |
0.000001 |
Na |
Sodium atom |
-162.279880 |
-162.279881 |
0.000001 |
H2OH2O |
water dimer |
-152.935995 |
-152.935996 |
0.000001 |
C3H7OH |
1-Propanol |
-194.347500 |
-194.347502 |
0.000001 |
H2O |
Water |
-76.434048 |
-76.434049 |
0.000001 |
CH2CHSCHCH2 |
Divinyl sulfide |
-554.169725 |
-554.169726 |
0.000001 |
PS |
phosphorus sulfide |
-739.517318 |
-739.517319 |
0.000001 |
H2O |
Water |
-76.464155 |
-76.464156 |
0.000001 |
H2OHCOOH |
Water formic acid dimer 2 |
-264.690943 |
-264.690945 |
0.000001 |
C2H6O2 |
1,2-Ethanediol |
-230.235714 |
-230.235715 |
0.000001 |
C2H4 |
Ethylene |
-78.587457 |
-78.587459 |
0.000001 |
LiNa |
lithium sodium |
-169.800450 |
-169.800451 |
0.000001 |
H2OCH3OH |
water methanol dimer |
-191.071860 |
-191.071861 |
0.000001 |
SiS |
silicon monosulfide |
-687.695073 |
-687.695074 |
0.000001 |
C5H8 |
Cyclobutane, methylene- |
-195.295189 |
-195.295190 |
0.000002 |
C3H4 |
cyclopropene |
-116.619040 |
-116.619041 |
0.000002 |
C3H7 |
Isopropyl radical |
-118.478154 |
-118.478156 |
0.000002 |
C5H8 |
Spiropentane |
-195.271522 |
-195.271523 |
0.000002 |
C2H4O |
Ethylene oxide |
-153.786260 |
-153.786262 |
0.000002 |
C4H8O |
Cyclobutanol |
-232.425002 |
-232.425003 |
0.000002 |
H2OH2O |
water dimer |
-152.939678 |
-152.939680 |
0.000002 |
H2CO |
Formaldehyde |
-114.500471 |
-114.500473 |
0.000002 |
CH3CHO |
Acetaldehyde |
-153.830118 |
-153.830120 |
0.000002 |
H2NCH2COOH |
Glycine |
-284.423454 |
-284.423456 |
0.000002 |
Al |
Aluminum atom |
-242.368234 |
-242.368235 |
0.000002 |
SiO2 |
silicon dioxide |
-439.928113 |
-439.928115 |
0.000002 |
C2H6N2O2 |
Dimethylnitroamine |
-339.656556 |
-339.656557 |
0.000002 |
CH2NN |
diazomethane |
-148.739257 |
-148.739259 |
0.000002 |
CH3CH(NH2)CH3 |
2-Propanamine |
-174.487272 |
-174.487274 |
0.000002 |
H2O |
Water |
-76.466197 |
-76.466198 |
0.000002 |
C3H5Cl |
1-chloro-1-propene(E) |
-577.505264 |
-577.505266 |
0.000002 |
C4H2N2 |
Fumaronitrile |
-263.069799 |
-263.069801 |
0.000002 |
C6H8 |
trans-2,3,4-Hexatriene |
-233.369902 |
-233.369904 |
0.000002 |
CH2CO |
Ketene |
-152.598471 |
-152.598473 |
0.000002 |
C2H5 |
Ethyl radical |
-79.157866 |
-79.157868 |
0.000002 |
AlS |
Aluminum sulfide |
-640.618558 |
-640.618560 |
0.000002 |
C3H3NO |
Oxazole |
-246.069878 |
-246.069880 |
0.000002 |
C2H2O2 |
Ethanedial |
-227.818629 |
-227.818631 |
0.000002 |
CH3CH2CH2CN |
Butanenitrile |
-211.382907 |
-211.382909 |
0.000002 |
C5H12S |
1-Butanethiol, 2-methyl- |
-595.952071 |
-595.952073 |
0.000002 |
HCS |
Thioformyl radical |
-436.804175 |
-436.804177 |
0.000002 |
P2 |
Phosphorus diatomic |
-682.688943 |
-682.688945 |
0.000002 |
CH3CO |
Acetyl radical |
-153.179833 |
-153.179835 |
0.000002 |
MgH |
magnesium monohydride |
-200.632219 |
-200.632221 |
0.000002 |
CH2ClCH2Cl |
Ethane, 1,2-dichloro- |
-999.019008 |
-999.019010 |
0.000002 |
C5H6 |
3-Penten-1-yne, (Z)- |
-194.054815 |
-194.054817 |
0.000002 |
CH3SSCH3 |
Disulfide, dimethyl |
-876.207515 |
-876.207517 |
0.000002 |
NaOH |
sodium hydroxide |
-238.110188 |
-238.110190 |
0.000002 |
C4H6 |
Cyclobutene |
-155.973262 |
-155.973265 |
0.000002 |
O2 |
Oxygen diatomic |
-150.320038 |
-150.320040 |
0.000002 |
C4H7NO |
Ethoxyacetonitrile |
-286.577621 |
-286.577623 |
0.000002 |
H2OH2O |
water dimer |
-152.877718 |
-152.877720 |
0.000002 |
C4H6 |
Methylenecyclopropane |
-155.962637 |
-155.962639 |
0.000002 |
CF2O |
Carbonic difluoride |
-313.007949 |
-313.007951 |
0.000002 |
C5H8 |
1,3-Pentadiene, (E)- |
-195.312245 |
-195.312248 |
0.000002 |
C4H6O |
Cyclobutanone |
-231.228583 |
-231.228586 |
0.000002 |
CH2CHCH2CH2Cl |
1-Butene, 4-chloro- |
-616.815871 |
-616.815874 |
0.000002 |
NH2CN |
cyanamide |
-148.780062 |
-148.780065 |
0.000002 |
C4H4O2 |
2-Oxetanone, 4-methylene- |
-305.237819 |
-305.237821 |
0.000002 |
C3H7NO |
Propanamide |
-248.526849 |
-248.526851 |
0.000002 |
NH3NH3 |
Ammonia Dimer |
-113.179172 |
-113.179174 |
0.000003 |
H2OHCOOH |
Water formic acid dimer 2 |
-266.217721 |
-266.217723 |
0.000003 |
C6H14 |
Butane, 2,3-dimethyl- |
-237.082503 |
-237.082506 |
0.000003 |
NH3NH3 |
Ammonia Dimer |
-113.181671 |
-113.181674 |
0.000003 |
H2OCH3OCH3 |
water dimethylether dimer |
-231.445126 |
-231.445129 |
0.000003 |
ClO |
Monochlorine monoxide |
-535.292266 |
-535.292268 |
0.000003 |
C3H6N2 |
3-Aminopropionitrile |
-227.408821 |
-227.408824 |
0.000003 |
C6H12 |
Cyclobutane, ethyl- |
-235.842095 |
-235.842098 |
0.000003 |
C4H6OS |
Vinyl sulfoxide |
-629.339319 |
-629.339322 |
0.000003 |
H2OHCOOH |
Water formic acid dimer 2 |
-266.312843 |
-266.312845 |
0.000003 |
PH2 |
Phosphino radical |
-342.504213 |
-342.504216 |
0.000003 |
C4H4O |
Furan |
-230.020582 |
-230.020585 |
0.000003 |
PH |
phosphorus monohydride |
-341.877168 |
-341.877171 |
0.000003 |
HO2 |
Hydroperoxy radical |
-150.899154 |
-150.899157 |
0.000003 |
SiH3Cl |
chlorosilane |
-751.531058 |
-751.531061 |
0.000003 |
HCOOC2H5 |
Formic acid, ethyl ester |
-268.382095 |
-268.382098 |
0.000003 |
H2OCH3OCH3 |
water dimethylether dimer |
-230.172249 |
-230.172252 |
0.000003 |
C6H12 |
2-Pentene, 3-methyl-, (E)- |
-235.855791 |
-235.855794 |
0.000003 |
H2CCCCH2 |
Butatriene |
-154.730753 |
-154.730756 |
0.000003 |
C3H4O |
Cyclopropanone |
-191.880739 |
-191.880742 |
0.000003 |
C6H6 |
Fulvene |
-232.191326 |
-232.191329 |
0.000003 |
C4H5N |
Pyrrole |
-210.165891 |
-210.165894 |
0.000003 |
CHClCCl2 |
Trichloroethylene |
-1,457.365681 |
-1,457.365684 |
0.000003 |
H2OH2O |
water dimer |
-152.830332 |
-152.830336 |
0.000003 |
C4H10O |
Propane, 2-methoxy- |
-233.657606 |
-233.657610 |
0.000003 |
C3H4O2S |
2H-Thiete-1,1-dioxide |
-665.239747 |
-665.239751 |
0.000003 |
AlO |
Aluminum monoxide |
-317.611324 |
-317.611327 |
0.000003 |
C6H8 |
cis-2,3,4-Hexatriene |
-233.369900 |
-233.369904 |
0.000004 |
CH2CCH2 |
allene |
-116.657673 |
-116.657676 |
0.000004 |
NH3NH3 |
Ammonia Dimer |
-113.103295 |
-113.103299 |
0.000004 |
CH3NHCH3 |
Dimethylamine |
-135.162852 |
-135.162855 |
0.000004 |
AlH2 |
aluminum dihydride |
-243.566409 |
-243.566413 |
0.000004 |
C2H6N2O |
Urea, methyl- |
-264.567956 |
-264.567960 |
0.000004 |
CH3NO3 |
Methyl nitrate |
-320.189438 |
-320.189442 |
0.000004 |
CH2NH |
Methanimine |
-94.627215 |
-94.627219 |
0.000004 |
CH3CH(CH3)CH3 |
Isobutane |
-158.458805 |
-158.458809 |
0.000004 |
CH2CCHCH3 |
1,2-Butadiene |
-155.975817 |
-155.975821 |
0.000004 |
CH3SHC(CH3)HCH3 |
1-Propanethiol, 2-methyl- |
-556.640081 |
-556.640084 |
0.000004 |
CH3SOCH3 |
Dimethyl sulfoxide |
-553.186932 |
-553.186936 |
0.000004 |
C6H12 |
2-Pentene, 3-methyl-, (Z)- |
-235.855600 |
-235.855604 |
0.000004 |
C5H12S |
Butane, 1-(methylthio)- |
-595.955682 |
-595.955686 |
0.000004 |
CH3CHF2 |
Ethane, 1,1-difluoro- |
-278.301606 |
-278.301610 |
0.000004 |
C3H4N2 |
1H-Imidazole |
-226.214554 |
-226.214559 |
0.000004 |
C4H9ClO |
1-Chloro-2-ethoxyethane |
-693.257136 |
-693.257140 |
0.000004 |
F |
Fluorine atom |
-99.715531 |
-99.715535 |
0.000004 |
C2H6 |
Ethane |
-79.830416 |
-79.830421 |
0.000004 |
C5H7N |
1H-Pyrrole, 1-methyl- |
-249.477847 |
-249.477851 |
0.000004 |
C6H8 |
1,3,5-Hexatriene, (E)- |
-233.398548 |
-233.398552 |
0.000005 |
C5H6 |
1,3-Cyclopentadiene |
-194.101058 |
-194.101062 |
0.000005 |
C2H3OC2H5 |
Ethene, ethoxy- |
-232.429908 |
-232.429912 |
0.000005 |
PCl5 |
Phosphorus pentachloride |
-2,642.356834 |
-2,642.356839 |
0.000005 |
H2OHCOOH |
Water formic acid dimer 2 |
-266.318288 |
-266.318292 |
0.000005 |
B |
Boron atom |
-24.654349 |
-24.654354 |
0.000005 |
C3H4O2 |
β–Propiolactone |
-267.153532 |
-267.153537 |
0.000005 |
H2ONH3 |
Water Ammonia Dimer |
-133.064761 |
-133.064766 |
0.000005 |
C5H11N |
Piperidine |
-251.904372 |
-251.904377 |
0.000005 |
CCl |
carbon monochloride |
-498.131258 |
-498.131263 |
0.000005 |
C3H4O2 |
2-Propenoic acid |
-267.159834 |
-267.159839 |
0.000005 |
SiH4 |
Silane |
-291.883686 |
-291.883691 |
0.000005 |
CH3CHCHCH3 |
2-Butene, (E)- |
-157.226906 |
-157.226911 |
0.000005 |
NH3NH3 |
Ammonia Dimer |
-113.139736 |
-113.139741 |
0.000005 |
AlCl3 |
Aluminum trichloride |
-1,623.233267 |
-1,623.233272 |
0.000005 |
B2Cl4 |
Diboron tetrachloride |
-1,890.645779 |
-1,890.645784 |
0.000005 |
HNO2 |
Nitrous acid |
-205.695212 |
-205.695217 |
0.000005 |
CH3CHNOH |
Acetaldoxime |
-209.131389 |
-209.131395 |
0.000005 |
C6H8 |
1,4-Cyclohexadiene |
-233.418497 |
-233.418503 |
0.000005 |
O3 |
Ozone |
-225.406454 |
-225.406459 |
0.000005 |
P2H4 |
H2PPH2 |
-685.095070 |
-685.095075 |
0.000005 |
CH3CHCHCH3 |
2-Butene, (Z)- |
-157.224769 |
-157.224774 |
0.000005 |
C5H10O |
2H-Pyran, tetrahydro- |
-271.770635 |
-271.770641 |
0.000005 |
C4H8O2 |
Ethyl acetate |
-307.695495 |
-307.695501 |
0.000005 |
C5H5N |
Bicyclo[1.1.0]butane-1-carbonitrile |
-248.193710 |
-248.193715 |
0.000005 |
CH2C(CH3)CH3 |
1-Propene, 2-methyl- |
-157.227286 |
-157.227291 |
0.000006 |
C6H8 |
Bicyclo[2.2.0]hex-1(4)-ene |
-233.316593 |
-233.316598 |
0.000006 |
C6H8 |
1,3-Cyclohexadiene |
-233.418911 |
-233.418916 |
0.000006 |
CCl2 |
dichloromethylene |
-958.383064 |
-958.383070 |
0.000006 |
LiO |
lithium oxide |
-82.681264 |
-82.681270 |
0.000006 |
P4 |
Phosphorus tetramer |
-1,365.441822 |
-1,365.441828 |
0.000006 |
C3H10N2 |
1,2-Diaminopropane |
-229.827654 |
-229.827660 |
0.000006 |
C5H7N |
(E)-3-Pentenenitrile |
-249.463131 |
-249.463137 |
0.000006 |
CH2F2 |
Methane, difluoro- |
-238.973195 |
-238.973201 |
0.000006 |
C6H12 |
Pentane, 3-methylene- |
-235.851814 |
-235.851821 |
0.000006 |
C6H10 |
2,4-Hexadiene, (E,E)- |
-234.632026 |
-234.632032 |
0.000006 |
C6H10 |
1-Hexyne |
-234.594718 |
-234.594724 |
0.000006 |
C4H5N |
Cyclopropanecarbonitrile |
-210.137583 |
-210.137590 |
0.000006 |
C3H3NO |
Isoxazole |
-246.034708 |
-246.034715 |
0.000006 |
C4H6O2 |
2,3-Butanedione |
-306.476016 |
-306.476022 |
0.000006 |
SiCl4 |
Silane, tetrachloro- |
-2,130.472833 |
-2,130.472840 |
0.000006 |
C5H10 |
2-Pentene, (E)- |
-196.539437 |
-196.539444 |
0.000007 |
NH2COOC2H5 |
Urethane |
-323.744806 |
-323.744813 |
0.000007 |
C4H6S |
Thiophene, 2,3-dihydro- |
-554.204194 |
-554.204201 |
0.000007 |
N(CH3)2CONH2 |
Urea, N,N-dimethyl- |
-303.877376 |
-303.877383 |
0.000007 |
CH3OCH3 |
Dimethyl ether |
-155.025044 |
-155.025051 |
0.000007 |
C2H5NO3 |
Nitric acid, ethyl ester |
-359.508714 |
-359.508722 |
0.000007 |
BHF2 |
Difluoroborane |
-225.245303 |
-225.245310 |
0.000007 |
C6H10 |
1-Butyne, 3,3-dimethyl- |
-234.595091 |
-234.595099 |
0.000008 |
CH2ClCH2CH3 |
Propane, 1-chloro- |
-578.740156 |
-578.740164 |
0.000008 |
CH2CHCH2CH3 |
1-Butene |
-157.221065 |
-157.221072 |
0.000008 |
CHClCHCl |
Ethene, 1,2-dichloro-, (Z)- |
-997.778564 |
-997.778571 |
0.000008 |
CH2ClCHCl2 |
1,1,2-trichloroethane |
-1,458.604519 |
-1,458.604527 |
0.000008 |
CH3CHS |
Thioacetaldehyde |
-476.788080 |
-476.788088 |
0.000008 |
H2SO4 |
Sulfuric acid |
-700.203055 |
-700.203062 |
0.000008 |
HNO3 |
Nitric acid |
-280.878552 |
-280.878560 |
0.000008 |
Na2Cl2 |
Disodium dichloride |
-1,245.198536 |
-1,245.198544 |
0.000008 |
C5H8 |
2,3-Pentadiene |
-195.293864 |
-195.293872 |
0.000008 |
C5H6 |
Cyclopropylacetylene |
-194.036507 |
-194.036515 |
0.000008 |
C3H6O3 |
1,3,5-Trioxane |
-343.565379 |
-343.565388 |
0.000008 |
PCl3 |
Phosphorus trichloride |
-1,721.999089 |
-1,721.999097 |
0.000008 |
NaF |
sodium fluoride |
-262.157453 |
-262.157461 |
0.000008 |
SO2 |
Sulfur dioxide |
-548.587479 |
-548.587488 |
0.000008 |
C6H10 |
2,4-Hexadiene, (Z,Z)- |
-234.627156 |
-234.627165 |
0.000008 |
C5H8 |
1,2-Butadiene, 3-methyl- |
-195.294206 |
-195.294215 |
0.000009 |
MgCl2 |
Magnesium dichloride |
-1,120.630674 |
-1,120.630683 |
0.000009 |
NF |
nitrogen fluoride |
-154.435915 |
-154.435924 |
0.000009 |
H2S2 |
HSSH |
-797.571777 |
-797.571786 |
0.000009 |
SO |
Sulfur monoxide |
-473.352481 |
-473.352491 |
0.000009 |
C3H7ONO |
Propyl nitrite |
-323.638922 |
-323.638932 |
0.000009 |
CH3CHSHCH3 |
2-Propanethiol |
-517.328812 |
-517.328821 |
0.000009 |
C4H7NO |
2-Pyrrolidinone |
-286.630100 |
-286.630109 |
0.000009 |
C4H10O |
2-Butanol, (.+/-.)- |
-233.667443 |
-233.667452 |
0.000009 |
C2H6N2O2 |
(E)-Azodioxymethane |
-339.626679 |
-339.626689 |
0.000010 |
CH2O2 |
Dioxirane |
-189.615543 |
-189.615552 |
0.000010 |
CH2SHCH2SH |
1,2-Ethanedithiol |
-876.193321 |
-876.193330 |
0.000010 |
C5H12S |
1-Butanethiol, 3-methyl- |
-595.951967 |
-595.951977 |
0.000010 |
O |
Oxygen atom |
-75.060612 |
-75.060621 |
0.000010 |
P |
Phosphorus atom |
-341.258080 |
-341.258090 |
0.000010 |
C4H6N2 |
1H-Imidazole, 2-methyl- |
-265.537266 |
-265.537276 |
0.000010 |
S2 |
Sulfur diatomic |
-796.362880 |
-796.362890 |
0.000010 |
CHCCH2CH3 |
1-Butyne |
-155.966867 |
-155.966877 |
0.000010 |
C4H10O2 |
Ethane, 1,2-dimethoxy- |
-308.855947 |
-308.855957 |
0.000010 |
C3H5ClO |
Oxirane, (chloromethyl)- |
-652.701340 |
-652.701350 |
0.000010 |
C2H6O2S |
Dimethyl sulfone |
-628.400813 |
-628.400823 |
0.000010 |
KF |
Potassium Fluoride |
-699.756088 |
-699.756099 |
0.000010 |
CH2CClCH2CH3 |
1-Butene, 2-chloro- |
-616.820223 |
-616.820234 |
0.000011 |
C4H6O |
Furan, 2,3-dihydro- |
-231.221786 |
-231.221797 |
0.000011 |
MgOH |
magnesium hydroxide |
-275.908750 |
-275.908762 |
0.000011 |
C6H10 |
1,5-Hexadiene |
-234.609635 |
-234.609647 |
0.000012 |
OClO |
Chlorine dioxide |
-610.417258 |
-610.417270 |
0.000012 |
C3H8O2 |
Methane, dimethoxy- |
-269.542453 |
-269.542465 |
0.000012 |
C3H8O3 |
1,2,3-Propanetriol |
-344.763444 |
-344.763456 |
0.000012 |
C4H12N2 |
1,2-Butanediamine |
-269.140470 |
-269.140482 |
0.000012 |
C5H11N |
Cyclopentanamine |
-251.900177 |
-251.900189 |
0.000012 |
LiBr |
Lithium Bromide |
-2,579.313617 |
-2,579.313630 |
0.000012 |
C5H12O |
1-Butanol, 3-methyl- |
-272.972278 |
-272.972290 |
0.000012 |
N2F2 |
Dinitrogen difluoride, (E)- |
-309.008521 |
-309.008533 |
0.000013 |
C5H10S |
Thiophene, tetrahydro-3-methyl- |
-594.750059 |
-594.750071 |
0.000013 |
C(NH2)H2C(CH3)HCH3 |
1-Propanamine, 2-methyl- |
-213.797622 |
-213.797635 |
0.000013 |
C4H10O2 |
1,1-Dimethoxyethane |
-308.862229 |
-308.862242 |
0.000013 |
CH3SCH3 |
Dimethyl sulfide |
-478.013808 |
-478.013823 |
0.000014 |
SCl2 |
Sulfur dichloride |
-1,318.554958 |
-1,318.554973 |
0.000015 |
C6H8 |
1,3,5-Hexatriene, (Z)- |
-233.395507 |
-233.395521 |
0.000015 |
C5H12 |
Butane, 2-methyl- |
-197.771116 |
-197.771131 |
0.000015 |
C3H4S3 |
1,3-Dithiolane-2-thione |
-1,311.291417 |
-1,311.291432 |
0.000015 |
C6H10 |
Cyclopentene, 1-methyl- |
-234.648126 |
-234.648142 |
0.000016 |
C3H6O |
Oxetane |
-193.105015 |
-193.105030 |
0.000016 |
CH3COF |
Acetyl fluoride |
-253.092204 |
-253.092219 |
0.000016 |
C6H12 |
1-Hexene |
-235.847657 |
-235.847674 |
0.000016 |
C5H10S |
2H-Thiopyran, tetrahydro- |
-594.752989 |
-594.753006 |
0.000016 |
C5H12S |
2-Butanethiol, 2-methyl- |
-595.954027 |
-595.954043 |
0.000017 |
FNO |
Nitrosyl fluoride |
-229.702511 |
-229.702528 |
0.000017 |
C2Cl4 |
Tetrachloroethylene |
-1,916.949404 |
-1,916.949421 |
0.000017 |
NH2CSNH2 |
Thiourea |
-548.215629 |
-548.215646 |
0.000017 |
LiF |
lithium fluoride |
-107.417614 |
-107.417631 |
0.000017 |
CF2Cl2 |
difluorodichloromethane |
-1,158.159242 |
-1,158.159260 |
0.000017 |
C5H12S |
Ethyl propyl sulfide |
-595.956277 |
-595.956295 |
0.000017 |
CHF2Cl |
difluorochloromethane |
-698.572028 |
-698.572045 |
0.000017 |
CHClCHCl |
Ethene, 1,2-dichloro-, (E)- |
-997.778379 |
-997.778396 |
0.000018 |
C5H10O |
2-Butanone, 3-methyl- |
-271.781283 |
-271.781300 |
0.000018 |
SO3 |
Sulfur trioxide |
-623.759192 |
-623.759210 |
0.000018 |
CH2CF2 |
Ethene, 1,1-difluoro- |
-277.058678 |
-277.058696 |
0.000018 |
CH3COCl |
Acetyl Chloride |
-613.445898 |
-613.445917 |
0.000019 |
CH3CCCH3 |
2-Butyne |
-155.978958 |
-155.978977 |
0.000019 |
CH2CCl2 |
Ethene, 1,1-dichloro- |
-997.775291 |
-997.775310 |
0.000019 |
SO2Cl2 |
Sulfuryl chloride |
-1,468.941981 |
-1,468.941999 |
0.000019 |
C6H12 |
Cyclohexane |
-235.880436 |
-235.880455 |
0.000019 |
CH3C(NH2)HCH2CH3 |
2-Butanamine |
-213.800138 |
-213.800158 |
0.000020 |
C4H8O2 |
1,4-Dioxane |
-307.658240 |
-307.658260 |
0.000020 |
BF3 |
Borane, trifluoro- |
-324.553220 |
-324.553240 |
0.000020 |
FO2 |
Dioxygen monofluoride |
-250.054798 |
-250.054818 |
0.000020 |
MgO |
magnesium oxide |
-275.216197 |
-275.216218 |
0.000021 |
C2F4 |
Tetrafluoroethylene |
-475.499596 |
-475.499617 |
0.000021 |
SiCl2 |
Dichlorosilylene |
-1,209.950384 |
-1,209.950406 |
0.000022 |
NF2 |
Difluoroamino radical |
-254.262475 |
-254.262498 |
0.000022 |
C2H5SC2H5 |
Diethyl sulfide |
-556.642533 |
-556.642557 |
0.000024 |
C4H6S |
Thiophene, 2,5-dihydro- |
-554.204319 |
-554.204343 |
0.000024 |
CF2 |
Difluoromethylene |
-237.689754 |
-237.689779 |
0.000026 |
CH5N3S |
Hydrazinecarbothioamide |
-603.535695 |
-603.535721 |
0.000026 |
NaO |
sodium monoxide |
-237.432342 |
-237.432368 |
0.000026 |
CH3CF3 |
Ethane, 1,1,1-trifluoro- |
-377.554903 |
-377.554931 |
0.000028 |
ClNO2 |
Nitryl chloride |
-665.261237 |
-665.261266 |
0.000029 |
B2F4 |
Diboron tetrafluoride |
-449.293441 |
-449.293473 |
0.000032 |
CF3CN |
Acetonitrile, trifluoro- |
-430.446509 |
-430.446541 |
0.000032 |
ClFO3 |
Perchloryl fluoride |
-785.311760 |
-785.311793 |
0.000033 |
F3NO |
Nitrogen trifluoride oxide |
-429.246725 |
-429.246758 |
0.000033 |
CHF3 |
Methane, trifluoro- |
-338.225922 |
-338.225957 |
0.000035 |
CF3 |
Trifluoromethyl radical |
-337.550988 |
-337.551026 |
0.000038 |
CF3Cl |
Methane, chlorotrifluoro- |
-797.816720 |
-797.816761 |
0.000041 |
C2F6 |
hexafluoroethane |
-675.254865 |
-675.254913 |
0.000048 |
NF3 |
Nitrogen trifluoride |
-354.071263 |
-354.071311 |
0.000048 |
SF6 |
Sulfur Hexafluoride |
-997.106744 |
-997.106812 |
0.000068 |
ClOO |
Chlorine dioxide |
-610.463903 |
-610.463980 |
0.000077 |
CCl4 |
Carbon tetrachloride |
-1,878.854167 |
-1,878.854249 |
0.000082 |
C6H4 |
(E)-Hexa-1,5-diyne-3-ene |
-230.881321 |
-230.881405 |
0.000084 |
C3H6S |
Thietane |
-516.095795 |
-516.096060 |
0.000265 |
H2OCH3OCH3 |
water dimethylether dimer |
-231.560909 |
-231.562074 |
0.001165 |
CH3CH2O |
Ethoxy radical |
-154.368945 |
-154.370494 |
0.001548 |
Si2 |
Silicon diatomic |
-578.902011 |
-578.907951 |
0.005941 |