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	hartrees
Energy at 0K	-492.889395
Energy at 298.15K	-492.893129
HF Energy	-492.889395
Nuclear repulsion energy	94.088295

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3687	3578	41.88
2	A'	3545	3440	45.99
3	A'	3101	3009	23.24
4	A'	1633	1585	185.19
5	A'	1448	1405	180.88
6	A'	1308	1269	118.38
7	A'	1134	1100	19.81
8	A'	878	852	16.65
9	A'	431	418	2.22
10	A"	953	925	29.99
11	A"	625	606	4.07
12	A"	387	375	170.36

Atom	x (Å)	y (Å)
C1	0.000	0.644
S2	-0.779	-0.814
N3	1.333	0.827
H4	-0.560	1.589
H5	1.947	0.022
H6	1.741	1.751

	C1	S2	N3	H4	H5	H6
C1		1.6528	1.3456	1.0981	2.0438	2.0629
S2	1.6528		2.6742	2.4127	2.8505	3.5953
N3	1.3456	2.6742		2.0405	1.0123	1.0104
H4	1.0981	2.4127	2.0405		2.9560	2.3059
H5	2.0438	2.8505	1.0123	2.9560		1.7420
H6	2.0629	3.5953	1.0104	2.3059	1.7420

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.503	C1	N3	H6	121.583
S2	C1	N3	125.909	S2	C1	H4	121.254
H5	N3	H6	118.914

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B3LYP/aug-cc-pVDZ

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	0.518
2	S	-0.122
3	N	0.223
4	H	-0.454
5	H	-0.085
6	H	-0.080

	x	y	z	Total
	3.169	3.092	0.000	4.428
CHELPG
AIM
ESP

	x	y	z
x	8.292	1.925	0.000
y	1.925	8.228	0.000
z	0.000	0.000	4.908

<r²>	68.154
(<r²>)^1/2	8.256

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B3LYP/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)