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	hartrees
Energy at 0K	-492.126769
Energy at 298.15K	-492.130578
HF Energy	-491.637272
Nuclear repulsion energy	95.431603

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3863	3569	67.58
2	A'	3722	3440	96.15
3	A'	3215	2971	13.49
4	A'	1716	1585	214.23
5	A'	1532	1416	231.77
6	A'	1357	1254	221.89
7	A'	1192	1102	37.56
8	A'	935	864	26.79
9	A'	453	418	1.73
10	A"	1027	949	25.14
11	A"	652	602	5.41
12	A"	391	361	191.76

Atom	x (Å)	y (Å)
C1	0.000	0.631
S2	-0.770	-0.800
N3	1.319	0.814
H4	-0.551	1.563
H5	1.926	0.020
H6	1.716	1.727

	C1	S2	N3	H4	H5	H6
C1		1.6247	1.3312	1.0827	2.0202	2.0364
S2	1.6247		2.6391	2.3728	2.8176	3.5449
N3	1.3312	2.6391		2.0143	0.9989	0.9966
H4	1.0827	2.3728	2.0143		2.9179	2.2730
H5	2.0202	2.8176	0.9989	2.9179		1.7201
H6	2.0364	3.5449	0.9966	2.2730	1.7201

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.543	C1	N3	H6	121.374
S2	C1	N3	126.170	S2	C1	H4	121.118
H5	N3	H6	119.083

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CID/6-311+G(3df,2p)

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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All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: CID/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)