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	hartrees
Energy at 0K	-492.086419
Energy at 298.15K	-492.090095
HF Energy	-491.607147
Nuclear repulsion energy	94.045029

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3751	3618	52.77
2	A'	3604	3476	88.16
3	A'	3143	3032	16.35
4	A'	1665	1606	208.80
5	A'	1481	1429	242.91
6	A'	1313	1266	209.24
7	A'	1154	1113	29.62
8	A'	908	876	18.33
9	A'	436	420	1.60
10	A"	966	932	31.21
11	A"	618	596	1.82
12	A"	320	308	182.09

Atom	x (Å)	y (Å)
C1	0.000	0.642
S2	-0.782	-0.811
N3	1.339	0.823
H4	-0.558	1.590
H5	1.951	0.017
H6	1.743	1.749

	C1	S2	N3	H4	H5	H6
C1		1.6494	1.3510	1.1006	2.0483	2.0647
S2	1.6494		2.6769	2.4115	2.8552	3.5951
N3	1.3510	2.6769		2.0459	1.0121	1.0100
H4	1.1006	2.4115	2.0459		2.9612	2.3062
H5	2.0483	2.8552	1.0121	2.9612		1.7441
H6	2.0647	3.5951	1.0100	2.3062	1.7441

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.493	C1	N3	H6	121.303
S2	C1	N3	126.008	S2	C1	H4	121.252
H5	N3	H6	119.205

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCD/aug-cc-pVDZ

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/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)