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	hartrees
Energy at 0K	-492.163432
Energy at 298.15K
HF Energy	-491.622866
Nuclear repulsion energy	94.522986

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3761	3564	49.67
2	A'	3623	3433	87.08
3	A'	3155	2989	20.91
4	A'	1672	1584	187.57
5	A'	1493	1415	183.84
6	A'	1322	1252	225.95
7	A'	1163	1102	24.40
8	A'	897	850	14.82
9	A'	439	416	1.14
10	A"	941	892	38.30
11	A"	590	559
12	A"	136i	129i	211.36

Atom	x (Å)	y (Å)
C1	0.000	0.641
S2	-0.778	-0.807
N3	1.331	0.819
H4	-0.549	1.581
H5	1.937	0.015
H6	1.738	1.737

	C1	S2	N3	H4	H5	H6
C1		1.6438	1.3432	1.0881	2.0356	2.0547
S2	1.6438		2.6631	2.3986	2.8367	3.5780
N3	1.3432	2.6631		2.0286	1.0062	1.0042
H4	1.0881	2.3986	2.0286		2.9376	2.2921
H5	2.0356	2.8367	1.0062	2.9376		1.7332
H6	2.0547	3.5780	1.0042	2.2921	1.7332

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.405	C1	N3	H6	121.493
S2	C1	N3	125.847	S2	C1	H4	121.468
H5	N3	H6	119.101

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCSD=FULL/TZVP

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: CCSD=FULL/TZVP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)