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	hartrees
Energy at 0K	-492.809913
Energy at 298.15K	-492.813679
HF Energy	-492.809913
Nuclear repulsion energy	94.866081

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'	3769	3769	56.44	78.00	0.62	0.77
2	A'	3627	3627	72.37	127.98	0.13	0.24
3	A'	3128	3128	20.30	109.02	0.34	0.51
4	A'	1654	1654	204.97	3.93	0.75	0.86
5	A'	1485	1485	198.50	1.52	0.46	0.63
6	A'	1341	1341	102.24	3.96	0.53	0.70
7	A'	1152	1152	22.36	9.52	0.34	0.51
8	A'	901	901	18.18	15.70	0.19	0.31
9	A'	441	441	2.49	3.32	0.54	0.70
10	A"	987	987	19.61	0.89	0.75	0.86
11	A"	646	646	8.43	0.83	0.75	0.86
12	A"	389	389	184.73	0.41	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.774	-0.804
N3	1.325	0.816
H4	-0.552	1.580
H5	1.931	0.012
H6	1.734	1.734

	C1	S2	N3	H4	H5	H6
C1		1.6361	1.3366	1.0923	2.0295	2.0517
S2	1.6361		2.6513	2.3946	2.8249	3.5681
N3	1.3366	2.6513		2.0257	1.0073	1.0047
H4	1.0923	2.3946	2.0257		2.9363	2.2911
H5	2.0295	2.8249	1.0073	2.9363		1.7331
H6	2.0517	3.5681	1.0047	2.2911	1.7331

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.292	C1	N3	H6	121.764
S2	C1	N3	125.927	S2	C1	H4	121.435
H5	N3	H6	118.944

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: wB97X-D/6-31G(2df,p)

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	0.087
2	S	-0.388
3	N	-0.469
4	H	0.164
5	H	0.307
6	H	0.300

	x	y	z	Total
	3.376	3.287	0.000	4.712
CHELPG
AIM
ESP

	x	y	z
x	6.464	1.932	0.000
y	1.932	6.664	0.000
z	0.000	0.000	3.158

<r²>	66.631
(<r²>)^1/2	8.163

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: wB97X-D/6-31G(2df,p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)