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	hartrees
Energy at 0K	-492.649774
Energy at 298.15K	-492.653416
HF Energy	-492.498787
Nuclear repulsion energy	94.419381

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'	3727	3727	45.76	104.16	0.62	0.77
2	A'	3588	3588	67.03	187.96	0.16	0.27
3	A'	3120	3120	28.96	140.03	0.35	0.51
4	A'	1653	1653	177.97	3.71	0.62	0.77
5	A'	1476	1476	176.79	0.62	0.06	0.11
6	A'	1328	1328	144.42	2.96	0.62	0.77
7	A'	1153	1153	19.67	12.39	0.42	0.60
8	A'	888	888	14.71	19.99	0.23	0.38
9	A'	437	437	1.58	4.09	0.73	0.84
10	A"	961	961	36.25	0.69	0.75	0.86
11	A"	622	622	3.10	1.35	0.75	0.86
12	A"	296	296	210.78	0.77	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.777	-0.811
N3	1.330	0.826
H4	-0.556	1.577
H5	1.943	0.025
H6	1.731	1.749

	C1	S2	N3	H4	H5	H6
C1		1.6448	1.3434	1.0907	2.0376	2.0563
S2	1.6448		2.6681	2.3981	2.8452	3.5835
N3	1.3434	2.6681		2.0307	1.0085	1.0063
H4	1.0907	2.3981	2.0307		2.9420	2.2937
H5	2.0376	2.8452	1.0085	2.9420		1.7372
H6	2.0563	3.5835	1.0063	2.2937	1.7372

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.405	C1	N3	H6	121.460
S2	C1	N3	126.181	S2	C1	H4	121.147
H5	N3	H6	119.135

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP/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	-0.096
2	S	-0.165
3	N	-0.357
4	H	0.131
5	H	0.253
6	H	0.234

	x	y	z	Total
	3.308	3.154	0.000	4.571
CHELPG
AIM
ESP

	x	y	z
x	6.491	2.411	0.000
y	2.411	6.897	0.001
z	0.000	0.001	2.541

<r²>	67.761
(<r²>)^1/2	8.232

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B2PLYP/6-311G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)