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	hartrees
Energy at 0K	-492.651963
Energy at 298.15K	-492.655711
HF Energy	-492.651963
Nuclear repulsion energy	94.739501

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'	3739	3588	35.29	106.64	0.63	0.78
2	A'	3605	3459	47.23	189.39	0.17	0.28
3	A'	3117	2991	33.57	139.53	0.34	0.51
4	A'	1685	1617	199.41	3.68	0.58	0.74
5	A'	1491	1431	205.00	0.73	0.12	0.21
6	A'	1347	1292	108.85	2.19	0.59	0.74
7	A'	1163	1116	24.64	11.21	0.48	0.65
8	A'	900	864	19.50	14.60	0.23	0.37
9	A'	441	423	1.94	3.66	0.74	0.85
10	A"	965	926	36.22	0.83	0.75	0.86
11	A"	643	617	9.69	1.49	0.75	0.86
12	A"	379	363	240.46	0.71	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.772	-0.810
N3	1.321	0.827
H4	-0.562	1.574
H5	1.937	0.030
H6	1.723	1.749

	C1	S2	N3	H4	H5	H6
C1		1.6402	1.3348	1.0927	2.0301	2.0510
S2	1.6402		2.6574	2.3939	2.8362	3.5743
N3	1.3348	2.6574		2.0256	1.0076	1.0056
H4	1.0927	2.3939	2.0256		2.9376	2.2918
H5	2.0301	2.8362	1.0076	2.9376		1.7323
H6	2.0510	3.5743	1.0056	2.2918	1.7323

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.494	C1	N3	H6	121.772
S2	C1	N3	126.259	S2	C1	H4	121.002
H5	N3	H6	118.733

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HSEh1PBE/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	-0.153
2	S	-0.169
3	N	-0.677
4	H	0.237
5	H	0.391
6	H	0.371

	x	y	z	Total
	3.446	3.294	0.000	4.767
CHELPG
AIM
ESP

	x	y	z
x	6.322	2.314	0.000
y	2.314	6.776	0.000
z	0.000	0.000	2.482

<r²>	67.240
(<r²>)^1/2	8.200

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HSEh1PBE/6-311G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)