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	hartrees
Energy at 0K	-491.608305
Energy at 298.15K	-491.612186
HF Energy	-491.608305
Nuclear repulsion energy	94.920960

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'	3940	3588	71.90	58.85	0.61	0.76
2	A'	3795	3456	100.39	132.66	0.09	0.17
3	A'	3296	3001	14.37	101.36	0.33	0.49
4	A'	1782	1623	222.66	4.40	0.59	0.74
5	A'	1572	1432	239.47	4.57	0.22	0.35
6	A'	1395	1271	237.92	4.80	0.37	0.54
7	A'	1227	1117	55.67	5.32	0.11	0.21
8	A'	927	844	56.43	22.65	0.06	0.12
9	A'	462	421	2.64	2.67	0.33	0.50
10	A"	1078	981	20.99	1.39	0.75	0.86
11	A"	676	616	10.56	0.18	0.75	0.86
12	A"	429	390	202.41	0.06	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.765	-0.817
N3	1.312	0.837
H4	-0.572	1.563
H5	1.928	0.052
H6	1.698	1.754

	C1	S2	N3	H4	H5	H6
C1		1.6453	1.3270	1.0860	2.0158	2.0308
S2	1.6453		2.6549	2.3873	2.8299	3.5601
N3	1.3270	2.6549		2.0200	0.9970	0.9952
H4	1.0860	2.3873	2.0200		2.9215	2.2786
H5	2.0158	2.8299	0.9970	2.9215		1.7170
H6	2.0308	3.5601	0.9952	2.2786	1.7170

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.633	C1	N3	H6	121.320
S2	C1	N3	126.221	S2	C1	H4	120.482
H5	N3	H6	119.047

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HF/aug-cc-pVDZ

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	0.358
2	S	-0.022
3	N	-0.093
4	H	-0.222
5	H	-0.011
6	H	-0.009

	x	y	z	Total
	3.386	3.671	0.000	4.994
CHELPG
AIM
ESP

	x	y	z
x	7.383	1.732	0.000
y	1.732	7.596	0.000
z	0.000	0.000	4.759

<r²>	67.357
(<r²>)^1/2	8.207

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HF/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)