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	hartrees
Energy at 0K	-492.021467
Energy at 298.15K	-492.025095
HF Energy	-491.565630
Nuclear repulsion energy	94.432507

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3735	3547	51.04
2	A'	3603	3422	95.93
3	A'	3156	2997	21.19
4	A'	1689	1604	213.80
5	A'	1515	1439	195.76
6	A'	1350	1283	174.40
7	A'	1177	1118	24.38
8	A'	909	863	15.72
9	A'	445	423	1.81
10	A"	984	934	27.93
11	A"	629	598	8.12
12	A"	280	266	262.86

Atom	x (Å)	y (Å)
C1	0.000	0.638
S2	-0.778	-0.807
N3	1.332	0.821
H4	-0.555	1.580
H5	1.945	0.016
H6	1.743	1.744

	C1	S2	N3	H4	H5	H6
C1		1.6418	1.3442	1.0936	2.0422	2.0645
S2	1.6418		2.6655	2.3981	2.8450	3.5874
N3	1.3442	2.6655		2.0339	1.0127	1.0105
H4	1.0936	2.3981	2.0339		2.9496	2.3044
H5	2.0422	2.8450	1.0127	2.9496		1.7405
H6	2.0645	3.5874	1.0105	2.3044	1.7405

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.439	C1	N3	H6	121.867
S2	C1	N3	126.136	S2	C1	H4	121.180
H5	N3	H6	118.693

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCSD=FULL/6-31G*

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/6-31G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)