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	hartrees
Energy at 0K	-492.221869
Energy at 298.15K	-492.225519
HF Energy	-491.643573
Nuclear repulsion energy	94.633382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3748	3607	53.79
2	A'	3609	3473	77.47
3	A'	3137	3019	14.89
4	A'	1660	1598	182.11
5	A'	1477	1422	197.91
6	A'	1320	1270	184.85
7	A'	1150	1106	25.91
8	A'	891	858	17.84
9	A'	435	418	1.77
10	A"	978	941	25.90
11	A"	623	600	1.67
12	A"	298	287	180.88

Atom	x (Å)	y (Å)
C1	0.000	0.641
S2	-0.776	-0.807
N3	1.329	0.819
H4	-0.552	1.578
H5	1.934	0.016
H6	1.733	1.737

	C1	S2	N3	H4	H5	H6
C1		1.6423	1.3411	1.0879	2.0327	2.0503
S2	1.6423		2.6598	2.3950	2.8325	3.5726
N3	1.3411	2.6598		2.0289	1.0053	1.0029
H4	1.0879	2.3950	2.0289		2.9365	2.2905
H5	2.0327	2.8325	1.0053	2.9365		1.7328
H6	2.0503	3.5726	1.0029	2.2905	1.7328

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.375	C1	N3	H6	121.350
S2	C1	N3	125.837	S2	C1	H4	121.281
H5	N3	H6	119.275

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: QCISD/aug-cc-pVTZ

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: QCISD/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)