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	hartrees
Energy at 0K	-492.857167
Energy at 298.15K	-492.860799
HF Energy	-492.857167
Nuclear repulsion energy	93.554078

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3576	3562	23.63
2	A'	3445	3432	25.51
3	A'	3003	2991	37.81
4	A'	1593	1587	150.39
5	A'	1413	1407	153.49
6	A'	1279	1274	118.72
7	A'	1110	1105	16.88
8	A'	841	838	16.09
9	A'	422	420	2.21
10	A"	919	915	36.81
11	A"	610	608	3.80
12	A"	335	333	189.03

Atom	x (Å)	y (Å)
C1	0.000	0.646
S2	-0.782	-0.821
N3	1.339	0.837
H4	-0.561	1.591
H5	1.961	0.032
H6	1.744	1.769

	C1	S2	N3	H4	H5	H6
C1		1.6625	1.3528	1.0983	2.0551	2.0746
S2	1.6625		2.6926	2.4214	2.8727	3.6183
N3	1.3528	2.6926		2.0439	1.0178	1.0162
H4	1.0983	2.4214	2.0439		2.9648	2.3120
H5	2.0551	2.8727	1.0178	2.9648		1.7512
H6	2.0746	3.6183	1.0162	2.3120	1.7512

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.534	C1	N3	H6	121.611
S2	C1	N3	126.197	S2	C1	H4	121.220
H5	N3	H6	118.855

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/6-311G**

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	-0.108
2	S	-0.167
3	N	-0.321
4	H	0.128
5	H	0.244
6	H	0.224

	x	y	z	Total
	3.337	3.138	0.000	4.581
CHELPG
AIM
ESP

	x	y	z
x	6.862	2.472	0.000
y	2.472	7.196	0.000
z	0.000	0.000	2.597

<r²>	68.788
(<r²>)^1/2	8.294

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/6-311G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)