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	hartrees
Energy at 0K	-487.179626
Energy at 298.15K
HF Energy	-487.179626
Nuclear repulsion energy	93.616343

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'	3964	3964	9.45	48.09	0.72	0.84
2	A'	3743	3743	63.90	104.28	0.15	0.26
3	A'	3339	3339	8.12	47.70	0.42	0.59
4	A'	1754	1754	98.58	14.86	0.63	0.78
5	A'	1603	1603	92.12	2.38	0.63	0.77
6	A'	1369	1369	107.30	6.94	0.71	0.83
7	A'	1202	1202	5.58	5.84	0.17	0.30
8	A'	966	966	0.20	12.27	0.28	0.44
9	A'	427	427	1.89	3.33	0.57	0.73
10	A"	950	950	9.40	0.11	0.75	0.86
11	A"	569	569	3.36	2.44	0.75	0.86
12	A"	298i	298i	248.36	0.56	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.624
S2	-0.824	-0.765
N3	1.395	0.752
H4	-0.453	1.637
H5	2.004	-0.085
H6	1.863	1.675

	C1	S2	N3	H4	H5	H6
C1		1.6144	1.4011	1.1100	2.1251	2.1395
S2	1.6144		2.6881	2.4305	2.9079	3.6295
N3	1.4011	2.6881		2.0487	1.0351	1.0345
H4	1.1100	2.4305	2.0487		2.9998	2.3162
H5	2.1251	2.9079	1.0351	2.9998		1.7656
H6	2.1395	3.6295	1.0345	2.3162	1.7656

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	120.717	C1	N3	H6	122.179
S2	C1	N3	125.960	S2	C1	H4	125.254
H5	N3	H6	117.104

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: wB97X-D/STO-3G

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	-0.104
2	S	-0.004
3	N	-0.375
4	H	0.068
5	H	0.209
6	H	0.206

	x	y	z	Total
	2.356	1.630	0.000	2.865
CHELPG
AIM
ESP

	x	y	z
x	3.462	1.589	0.000
y	1.589	3.480	0.000
z	0.000	0.000	0.667

<r²>	66.415
(<r²>)^1/2	8.150

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: wB97X-D/STO-3G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)