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	hartrees
Energy at 0K	-492.859588
Energy at 298.15K	-492.863242
HF Energy	-492.859588
Nuclear repulsion energy	93.569082

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3569	3560	25.70
2	A'	3438	3429	21.98
3	A'	3007	2999	35.60
4	A'	1592	1588	147.45
5	A'	1409	1406	136.35
6	A'	1267	1264	128.23
7	A'	1110	1107	16.01
8	A'	841	839	12.67
9	A'	420	419	1.97
10	A"	916	913	33.08
11	A"	608	607	4.01
12	A"	357	356	186.55

Atom	x (Å)	y (Å)
C1	0.000	0.647
S2	-0.784	-0.819
N3	1.341	0.833
H4	-0.554	1.594
H5	1.960	0.026
H6	1.751	1.763

	C1	S2	N3	H4	H5	H6
C1		1.6619	1.3539	1.0973	2.0556	2.0762
S2	1.6619		2.6915	2.4231	2.8707	3.6177
N3	1.3539	2.6915		2.0423	1.0171	1.0156
H4	1.0973	2.4231	2.0423		2.9628	2.3115
H5	2.0556	2.8707	1.0171	2.9628		1.7491
H6	2.0762	3.6177	1.0156	2.3115	1.7491

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.544	C1	N3	H6	121.717
S2	C1	N3	126.067	S2	C1	H4	121.501
H5	N3	H6	118.738

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/TZVP

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	-0.100
2	S	-0.181
3	N	-0.301
4	H	0.123
5	H	0.231
6	H	0.229

	x	y	z	Total
	3.160	2.945	0.000	4.320
CHELPG
AIM
ESP

	x	y	z
x	7.197	2.342	0.000
y	2.342	7.506	0.000
z	0.000	0.000	3.322

<r²>	68.653
(<r²>)^1/2	8.286

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/TZVP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)