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	hartrees
Energy at 0K	-491.504282
Energy at 298.15K	-491.508353
HF Energy	-491.504282
Nuclear repulsion energy	93.708971

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3952	3569	72.61	69.07	0.66	0.79
2	A'	3817	3446	111.33	109.44	0.16	0.27
3	A'	3355	3030	11.99	102.71	0.35	0.52
4	A'	1851	1671	195.70	5.76	0.75	0.86
5	A'	1614	1458	195.44	4.55	0.35	0.52
6	A'	1454	1313	251.64	11.14	0.22	0.36
7	A'	1278	1154	50.14	6.61	0.62	0.77
8	A'	862	778	59.36	7.04	0.23	0.38
9	A'	461	416	2.82	6.08	0.63	0.78
10	A"	1111	1003	12.18	2.41	0.75	0.86
11	A"	856	773	386.85	0.22	0.75	0.86
12	A"	624	563	70.84	0.69	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.662
S2	-0.761	-0.850
N3	1.306	0.880
H4	-0.597	1.556
H5	1.937	0.111
H6	1.688	1.796

	C1	S2	N3	H4	H5	H6
C1		1.6926	1.3242	1.0750	2.0138	2.0336
S2	1.6926		2.6950	2.4114	2.8634	3.6052
N3	1.3242	2.6950		2.0202	0.9943	0.9929
H4	1.0750	2.4114	2.0202		2.9173	2.2980
H5	2.0138	2.8634	0.9943	2.9173		1.7036
H6	2.0336	3.6052	0.9929	2.2980	1.7036

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.913	C1	N3	H6	122.066
S2	C1	N3	126.151	S2	C1	H4	119.543
H5	N3	H6	118.022

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HF/6-31G

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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Number	Element	Mulliken
1	C	-0.098
2	S	-0.117
3	N	-0.808
4	H	0.221
5	H	0.409
6	H	0.392

	x	y	z	Total
	3.656	4.272	0.000	5.623
CHELPG
AIM
ESP

	x	y	z
x	5.303	2.241	0.000
y	2.241	6.356	0.000
z	0.000	0.000	1.947

<r²>	68.848
(<r²>)^1/2	8.297

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HF/6-31G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)