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	hartrees
Energy at 0K	-27.462353
Energy at 298.15K	-27.466250
HF Energy	-27.462353
Nuclear repulsion energy	35.452914

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'	3791	3791	39.37	84.89	0.65	0.79
2	A'	3633	3633	63.21	172.43	0.17	0.29
3	A'	3183	3183	36.02	114.57	0.35	0.52
4	A'	1686	1686	183.00	5.33	0.72	0.84
5	A'	1473	1473	163.22	3.52	0.06	0.12
6	A'	1342	1342	181.17	6.73	0.34	0.51
7	A'	1157	1157	26.93	13.36	0.32	0.48
8	A'	851	851	16.72	18.56	0.32	0.49
9	A'	424	424	1.86	8.95	0.71	0.83
10	A"	970	970	43.32	4.60	0.75	0.86
11	A"	706	706	285.06	0.04	0.75	0.86
12	A"	564	564	113.82	0.73	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.671
S2	-0.789	-0.840
N3	1.352	0.855
H4	-0.576	1.603
H5	1.966	0.046
H6	1.762	1.782

	C1	S2	N3	H4	H5	H6
C1		1.7048	1.3648	1.0951	2.0629	2.0832
S2	1.7048		2.7311	2.4521	2.8935	3.6585
N3	1.3648	2.7311		2.0680	1.0156	1.0136
H4	1.0951	2.4521	2.0680		2.9806	2.3449
H5	2.0629	2.8935	1.0156	2.9806		1.7485
H6	2.0832	3.6585	1.0136	2.3449	1.7485

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.404	C1	N3	H6	121.594
S2	C1	N3	125.309	S2	C1	H4	120.717
H5	N3	H6	119.002

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: wB97X-D/CEP-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	-0.365
2	S	-0.196
3	N	-0.367
4	H	0.249
5	H	0.354
6	H	0.325

	x	y	z	Total
	3.701	3.660	0.000	5.205
CHELPG
AIM
ESP

	x	y	z
x	5.553	2.750	0.000
y	2.750	6.637	0.000
z	0.000	0.000	1.889

<r²>	50.231
(<r²>)^1/2	7.087

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)