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	hartrees
Energy at 0K	-492.034069
Energy at 298.15K	-492.037652
HF Energy	-491.579671
Nuclear repulsion energy	94.616791

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3820	3600	58.18
2	A'	3676	3464	101.31
3	A'	3198	3014	20.06
4	A'	1701	1603	212.48
5	A'	1516	1428	227.15
6	A'	1336	1259	277.09
7	A'	1183	1115	26.71
8	A'	925	871	16.83
9	A'	449	423	1.10
10	A"	977	921	39.09
11	A"	595	561	0.61
12	A"	246	232	237.66

Atom	x (Å)	y (Å)
C1	0.000	0.634
S2	-0.780	-0.803
N3	1.335	0.817
H4	-0.550	1.572
H5	1.950	0.020
H6	1.737	1.737

	C1	S2	N3	H4	H5	H6
C1		1.6349	1.3476	1.0878	2.0444	2.0583
S2	1.6349		2.6643	2.3867	2.8516	3.5766
N3	1.3476	2.6643		2.0306	1.0067	1.0046
H4	1.0878	2.3867	2.0306		2.9427	2.2929
H5	2.0444	2.8516	1.0067	2.9427		1.7307
H6	2.0583	3.5766	1.0046	2.2929	1.7307

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.847	C1	N3	H6	121.412
S2	C1	N3	126.311	S2	C1	H4	121.151
H5	N3	H6	118.741

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCD/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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All results from a given calculation for CHSNH2 (thioformamide)

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

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)