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	hartrees
Energy at 0K	-492.845662
Energy at 298.15K	-492.849408
HF Energy	-492.845662
Nuclear repulsion energy	94.956446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3723	3558	64.80
2	A'	3583	3425	77.08
3	A'	3126	2987	14.69
4	A'	1637	1564	217.85
5	A'	1468	1403	201.57
6	A'	1321	1263	149.22
7	A'	1144	1093	27.19
8	A'	901	861	20.51
9	A'	439	420	1.97
10	A"	973	930	26.14
11	A"	629	601	5.46
12	A"	377	361	176.52

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.774	-0.802
N3	1.325	0.814
H4	-0.551	1.575
H5	1.929	0.007
H6	1.734	1.732

	C1	S2	N3	H4	H5	H6
C1		1.6335	1.3369	1.0886	2.0293	2.0509
S2	1.6335		2.6490	2.3874	2.8220	3.5651
N3	1.3369	2.6490		2.0251	1.0076	1.0048
H4	1.0886	2.3874	2.0251		2.9346	2.2908
H5	2.0293	2.8220	1.0076	2.9346		1.7352
H6	2.0509	3.5651	1.0048	2.2908	1.7352

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.224	C1	N3	H6	121.634
S2	C1	N3	125.909	S2	C1	H4	121.278
H5	N3	H6	119.142

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

	Computational Chemistry Comparison and Benchmark DataBase Release 22 (May 2022) Standard Reference Database 101 National Institute of Standards and Technology
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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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Number	Element	Mulliken
1	C	-0.149
2	S	-0.298
3	N	-0.329
4	H	0.428
5	H	0.183
6	H	0.165

	x	y	z	Total
	3.107	3.035	0.000	4.343
CHELPG
AIM
ESP

	x	y	z
x	8.151	1.799	0.000
y	1.799	7.985	0.000
z	0.000	0.000	5.005

<r²>	67.024
(<r²>)^1/2	8.187

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: M06-2X/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)