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	hartrees
Energy at 0K	-492.845370
Energy at 298.15K	-492.849119
HF Energy	-492.845370
Nuclear repulsion energy	94.771857

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'	3757	3594	55.14	92.95	0.59	0.74
2	A'	3611	3454	63.11	198.64	0.12	0.21
3	A'	3137	3000	25.70	150.69	0.35	0.52
4	A'	1654	1582	225.43	3.81	0.63	0.77
5	A'	1477	1413	196.60	2.30	0.14	0.25
6	A'	1335	1277	116.47	6.20	0.62	0.77
7	A'	1150	1100	23.57	11.50	0.16	0.28
8	A'	901	862	16.67	14.87	0.15	0.26
9	A'	436	417	1.78	4.03	0.54	0.70
10	A"	966	924	33.84	3.14	0.75	0.86
11	A"	627	599	5.48	0.25	0.75	0.86
12	A"	395	378	219.07	0.02	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.775	-0.805
N3	1.326	0.818
H4	-0.553	1.577
H5	1.936	0.015
H6	1.734	1.738

	C1	S2	N3	H4	H5	H6
C1		1.6369	1.3386	1.0913	2.0336	2.0541
S2	1.6369		2.6552	2.3927	2.8328	3.5724
N3	1.3386	2.6552		2.0272	1.0083	1.0061
H4	1.0913	2.3927	2.0272		2.9392	2.2931
H5	2.0336	2.8328	1.0083	2.9392		1.7343
H6	2.0541	3.5724	1.0061	2.2931	1.7343

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.446	C1	N3	H6	121.700
S2	C1	N3	126.050	S2	C1	H4	121.269
H5	N3	H6	118.854

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B1B95/6-31+G**

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	-0.093
2	S	-0.286
3	N	-0.440
4	H	0.171
5	H	0.332
6	H	0.316

	x	y	z	Total
	3.282	3.163	0.000	4.558
CHELPG
AIM
ESP

	x	y	z
x	7.157	2.093	0.000
y	2.093	7.408	0.000
z	0.000	0.000	3.695

<r²>	67.184
(<r²>)^1/2	8.197

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B1B95/6-31+G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)