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	hartrees
Energy at 0K	-492.604313
Energy at 298.15K	-492.608021
HF Energy	-492.604313
Nuclear repulsion energy	94.620086

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'	3735	3552	47.56	99.03	0.63	0.78
2	A'	3601	3425	58.59	168.64	0.15	0.26
3	A'	3138	2984	27.04	127.30	0.33	0.50
4	A'	1675	1593	210.35	4.80	0.73	0.84
5	A'	1497	1423	185.66	2.10	0.19	0.32
6	A'	1352	1286	88.71	4.04	0.66	0.80
7	A'	1161	1104	21.91	12.94	0.43	0.61
8	A'	903	859	15.91	12.92	0.25	0.40
9	A'	439	417	2.46	3.81	0.66	0.80
10	A"	974	926	27.61	0.96	0.75	0.86
11	A"	643	611	10.27	1.23	0.75	0.86
12	A"	351	334	238.93	0.47	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.775	-0.808
N3	1.325	0.821
H4	-0.552	1.584
H5	1.936	0.016
H6	1.737	1.742

	C1	S2	N3	H4	H5	H6
C1		1.6418	1.3377	1.0941	2.0338	2.0574
S2	1.6418		2.6580	2.4023	2.8330	3.5795
N3	1.3377	2.6580		2.0264	1.0108	1.0087
H4	1.0941	2.4023	2.0264		2.9410	2.2947
H5	2.0338	2.8330	1.0108	2.9410		1.7378
H6	2.0574	3.5795	1.0087	2.2947	1.7378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.347	C1	N3	H6	121.904
S2	C1	N3	125.972	S2	C1	H4	121.529
H5	N3	H6	118.748

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: HSEh1PBE/6-31G*

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	-0.069
2	S	-0.207
3	N	-0.677
4	H	0.202
5	H	0.381
6	H	0.369

	x	y	z	Total
	3.428	3.280	0.000	4.744
CHELPG
AIM
ESP

	x	y	z
x	6.065	2.132	0.000
y	2.132	6.454	0.000
z	0.000	0.000	2.398

<r²>	66.974
(<r²>)^1/2	8.184

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: HSEh1PBE/6-31G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)