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	hartrees
Energy at 0K	-492.873227
Energy at 298.15K	-492.876845
HF Energy	-492.873227
Nuclear repulsion energy	93.975561

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3578	3578	26.44
2	A'	3445	3445	21.02
3	A'	2997	2997	35.09
4	A'	1586	1586	145.61
5	A'	1411	1411	134.66
6	A'	1267	1267	122.84
7	A'	1110	1110	14.31
8	A'	852	852	11.34
9	A'	421	421	2.20
10	A"	923	923	26.80
11	A"	613	613	2.46
12	A"	322	322	160.16

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.784	-0.810
N3	1.341	0.823
H4	-0.548	1.590
H5	1.955	0.015
H6	1.751	1.750

	C1	S2	N3	H4	H5	H6
C1		1.6488	1.3531	1.0969	2.0530	2.0731
S2	1.6488		2.6798	2.4120	2.8607	3.6029
N3	1.3531	2.6798		2.0391	1.0155	1.0137
H4	1.0969	2.4120	2.0391		2.9584	2.3052
H5	2.0530	2.8607	1.0155	2.9584		1.7473
H6	2.0731	3.6029	1.0137	2.3052	1.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.483	C1	N3	H6	121.645
S2	C1	N3	126.146	S2	C1	H4	121.611
H5	N3	H6	118.872

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/Def2TZVPP

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	0.025
2	S	-0.284
3	N	-0.161
4	H	0.108
5	H	0.159
6	H	0.153

	x	y	z	Total
	3.080	2.848	0.000	4.195
CHELPG
AIM
ESP

	x	y	z
x	7.588	2.136	0.000
y	2.136	7.648	0.000
z	0.000	0.000	3.871

<r²>	68.135
(<r²>)^1/2	8.254

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)