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	hartrees
Energy at 0K	-492.675196
Energy at 298.15K	-492.678954
HF Energy	-492.675196
Nuclear repulsion energy	95.074278

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'	3733	3733	48.49	95.66	0.56	0.72
2	A'	3594	3594	51.46	204.41	0.12	0.21
3	A'	3098	3098	22.75	146.61	0.32	0.48
4	A'	1640	1640	206.56	3.65	0.59	0.74
5	A'	1471	1471	191.42	3.31	0.21	0.35
6	A'	1328	1328	103.10	5.01	0.64	0.78
7	A'	1145	1145	21.57	10.45	0.16	0.28
8	A'	903	903	15.76	17.31	0.11	0.20
9	A'	436	436	2.09	2.77	0.33	0.50
10	A"	970	970	27.69	1.52	0.75	0.86
11	A"	638	638	4.19	0.07	0.75	0.86
12	A"	389	389	172.95	0.01	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.634
S2	-0.772	-0.802
N3	1.322	0.815
H4	-0.553	1.575
H5	1.930	0.012
H6	1.728	1.734

	C1	S2	N3	H4	H5	H6
C1		1.6306	1.3344	1.0914	2.0279	2.0481
S2	1.6306		2.6458	2.3869	2.8223	3.5610
N3	1.3344	2.6458		2.0236	1.0070	1.0047
H4	1.0914	2.3869	2.0236		2.9343	2.2866
H5	2.0279	2.8223	1.0070	2.9343		1.7338
H6	2.0481	3.5610	1.0047	2.2866	1.7338

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.361	C1	N3	H6	121.589
S2	C1	N3	126.046	S2	C1	H4	121.264
H5	N3	H6	119.050

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

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	0.355
2	S	-0.289
3	N	-0.553
4	H	0.150
5	H	0.174
6	H	0.163

	x	y	z	Total
	3.171	3.038	0.000	4.392
CHELPG
AIM
ESP

	x	y	z
x	7.937	1.847	0.000
y	1.847	7.833	0.000
z	0.000	0.000	4.733

<r²>	66.848
(<r²>)^1/2	8.176

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HSEh1PBE/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)