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	hartrees
Energy at 0K	-492.809645
Energy at 298.15K	-492.813273
HF Energy	-492.809645
Nuclear repulsion energy	93.384064

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3588	3569	29.76
2	A'	3448	3430	25.26
3	A'	3018	3002	36.15
4	A'	1593	1585	159.11
5	A'	1406	1399	153.30
6	A'	1270	1263	135.72
7	A'	1106	1100	16.40
8	A'	844	840	14.61
9	A'	421	418	1.96
10	A"	913	908	37.17
11	A"	599	596	1.73
12	A"	347	345	200.22

Atom	x (Å)	y (Å)
C1	0.000	0.647
S2	-0.788	-0.817
N3	1.347	0.829
H4	-0.551	1.600
H5	1.965	0.018
H6	1.762	1.760

	C1	S2	N3	H4	H5	H6
C1		1.6627	1.3594	1.1010	2.0638	2.0834
S2	1.6627		2.6958	2.4287	2.8769	3.6246
N3	1.3594	2.6958		2.0492	1.0201	1.0186
H4	1.1010	2.4287	2.0492		2.9730	2.3186
H5	2.0638	2.8769	1.0201	2.9730		1.7537
H6	2.0834	3.6246	1.0186	2.3186	1.7537

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.622	C1	N3	H6	121.697
S2	C1	N3	125.964	S2	C1	H4	121.664
H5	N3	H6	118.681

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: BLYP/6-31+G**

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	-0.111
2	S	-0.256
3	N	-0.382
4	H	0.147
5	H	0.309
6	H	0.294

	x	y	z	Total
	3.205	3.031	0.000	4.411
CHELPG
AIM
ESP

	x	y	z
x	7.944	2.273	0.000
y	2.273	8.058	0.000
z	0.000	0.000	4.016

<r²>	69.087
(<r²>)^1/2	8.312

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: BLYP/6-31+G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)