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	hartrees
Energy at 0K	-487.196352
Energy at 298.15K
HF Energy	-487.196352
Nuclear repulsion energy	93.197531

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3896	3477	5.05
2	A'	3670	3276	42.21
3	A'	3282	2929	12.03
4	A'	1734	1548	81.48
5	A'	1578	1408	87.43
6	A'	1345	1200	100.60
7	A'	1185	1057	5.13
8	A'	948	846	0.63
9	A'	423	377	1.81
10	A"	932	832	10.80
11	A"	566	505	2.75
12	A"	323i	288i	236.53

Atom	x (Å)	y (Å)
C1	0.000	0.626
S2	-0.828	-0.768
N3	1.402	0.757
H4	-0.450	1.643
H5	2.013	-0.083
H6	1.873	1.682

	C1	S2	N3	H4	H5	H6
C1		1.6215	1.4079	1.1126	2.1345	2.1507
S2	1.6215		2.7016	2.4413	2.9231	3.6474
N3	1.4079	2.7016		2.0527	1.0389	1.0387
H4	1.1126	2.4413	2.0527		3.0078	2.3232
H5	2.1345	2.9231	1.0389	3.0078		1.7709
H6	2.1507	3.6474	1.0387	2.3232	1.7709

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	120.725	C1	N3	H6	122.340
S2	C1	N3	126.057	S2	C1	H4	125.453
H5	N3	H6	116.935

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B3LYP/STO-3G

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	-0.109
2	S	0.002
3	N	-0.364
4	H	0.064
5	H	0.205
6	H	0.202

	x	y	z	Total
	2.336	1.543	0.000	2.800
CHELPG
AIM
ESP

	x	y	z
x	3.538	1.593	0.000
y	1.593	3.512	0.000
z	0.000	0.000	0.679

<r²>	66.911
(<r²>)^1/2	8.180

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: B3LYP/STO-3G

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)