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	hartrees
Energy at 0K	-491.618980
Energy at 298.15K	-491.622869
HF Energy	-491.618980
Nuclear repulsion energy	95.179185

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'	3937	3577	73.63	69.46	0.64	0.78
2	A'	3800	3452	110.94	112.77	0.16	0.27
3	A'	3284	2984	21.23	103.98	0.36	0.52
4	A'	1794	1630	219.41	4.15	0.72	0.84
5	A'	1591	1446	234.68	1.12	0.33	0.49
6	A'	1406	1278	276.75	5.32	0.14	0.25
7	A'	1240	1126	62.64	4.70	0.51	0.68
8	A'	927	842	65.33	13.12	0.21	0.35
9	A'	469	426	1.66	3.99	0.71	0.83
10	A"	1084	985	20.63	1.62	0.75	0.86
11	A"	676	614	18.89	1.18	0.75	0.86
12	A"	432	393	243.08	0.16	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.636
S2	-0.762	-0.816
N3	1.307	0.840
H4	-0.574	1.551
H5	1.928	0.063
H6	1.687	1.757

	C1	S2	N3	H4	H5	H6
C1		1.6398	1.3233	1.0807	2.0115	2.0261
S2	1.6398		2.6507	2.3750	2.8302	3.5528
N3	1.3233	2.6507		2.0114	0.9947	0.9928
H4	1.0807	2.3750	2.0114		2.9115	2.2707
H5	2.0115	2.8302	0.9947	2.9115		1.7116
H6	2.0261	3.5528	0.9928	2.2707	1.7116

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.729	C1	N3	H6	121.378
S2	C1	N3	126.575	S2	C1	H4	120.222
H5	N3	H6	118.893

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HF/6-311G**

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	0.013
2	S	-0.246
3	N	-0.421
4	H	0.138
5	H	0.271
6	H	0.245

	x	y	z	Total
	3.506	3.804	0.000	5.173
CHELPG
AIM
ESP

	x	y	z
x	5.764	2.227	0.000
y	2.227	6.572	0.000
z	0.000	0.000	2.479

<r²>	67.139
(<r²>)^1/2	8.194

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)