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	hartrees
Energy at 0K	-492.807056
Energy at 298.15K	-492.810954
HF Energy	-492.807056
Nuclear repulsion energy	92.870325

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3693	3553	30.31
2	A'	3553	3418	42.15
3	A'	3165	3045	23.74
4	A'	1698	1634	144.52
5	A'	1484	1428	157.94
6	A'	1354	1303	126.80
7	A'	1168	1123	18.95
8	A'	840	808	15.25
9	A'	424	408	2.67
10	A"	973	936	42.24
11	A"	712	685	205.28
12	A"	557	536	134.14

Atom	x (Å)	y (Å)
C1	0.000	0.666
S2	-0.779	-0.840
N3	1.335	0.859
H4	-0.577	1.589
H5	1.956	0.061
H6	1.741	1.785

	C1	S2	N3	H4	H5	H6
C1		1.6958	1.3487	1.0889	2.0478	2.0698
S2	1.6958		2.7124	2.4378	2.8797	3.6393
N3	1.3487	2.7124		2.0467	1.0122	1.0111
H4	1.0889	2.4378	2.0467		2.9591	2.3266
H5	2.0478	2.8797	1.0122	2.9591		1.7383
H6	2.0698	3.6393	1.0111	2.3266	1.7383

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.626	C1	N3	H6	121.929
S2	C1	N3	125.597	S2	C1	H4	120.628
H5	N3	H6	118.445

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: TPSSh/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	-0.191
2	S	-0.071
3	N	-0.649
4	H	0.197
5	H	0.363
6	H	0.350

	x	y	z	Total
	3.599	3.581	0.000	5.077
CHELPG
AIM
ESP

	x	y	z
x	5.924	2.340	0.000
y	2.340	6.539	0.000
z	0.000	0.000	2.037

<r²>	69.214
(<r²>)^1/2	8.319

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: TPSSh/6-31G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)