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	hartrees
Energy at 0K	-492.832986
Energy at 298.15K	-492.836728
HF Energy	-492.832986
Nuclear repulsion energy	94.685009

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3767	3584	52.52
2	A'	3621	3446	62.75
3	A'	3138	2986	24.38
4	A'	1662	1582	219.35
5	A'	1490	1418	176.94
6	A'	1347	1281	90.26
7	A'	1155	1099	22.39
8	A'	901	857	15.52
9	A'	438	417	2.44
10	A"	975	928	26.77
11	A"	642	611	12.63
12	A"	378	360	225.54

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.774	-0.808
N3	1.324	0.823
H4	-0.555	1.580
H5	1.933	0.019
H6	1.731	1.743

	C1	S2	N3	H4	H5	H6
C1		1.6413	1.3371	1.0925	2.0302	2.0528
S2	1.6413		2.6574	2.3981	2.8305	3.5751
N3	1.3371	2.6574		2.0267	1.0081	1.0059
H4	1.0925	2.3981	2.0267		2.9376	2.2923
H5	2.0302	2.8305	1.0081	2.9376		1.7354
H6	2.0528	3.5751	1.0059	2.2923	1.7354

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.260	C1	N3	H6	121.726
S2	C1	N3	126.010	S2	C1	H4	121.314
H5	N3	H6	119.014

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: mPW1PW91/6-31G**

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	-0.030
2	S	-0.206
3	N	-0.553
4	H	0.166
5	H	0.317
6	H	0.305

	x	y	z	Total
	3.412	3.282	0.000	4.734
CHELPG
AIM
ESP

	x	y	z
x	6.063	2.130	0.000
y	2.130	6.471	0.000
z	0.000	0.000	2.429

<r²>	66.882
(<r²>)^1/2	8.178

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: mPW1PW91/6-31G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)