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	hartrees
Energy at 0K	-492.123259
Energy at 298.15K	-492.126984
HF Energy	-491.587835
Nuclear repulsion energy	94.874633

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3800	3599	64.94
2	A'	3659	3466	111.20
3	A'	3169	3001	13.57
4	A'	1673	1585	217.23
5	A'	1509	1430	223.30
6	A'	1344	1273	179.88
7	A'	1166	1104	27.59
8	A'	917	868	19.20
9	A'	444	420	1.99
10	A"	1005	952	21.22
11	A"	645	611	5.70
12	A"	340	322	195.03

Atom	x (Å)	y (Å)
C1	0.000	0.636
S2	-0.774	-0.804
N3	1.325	0.818
H4	-0.552	1.576
H5	1.934	0.018
H6	1.730	1.736

	C1	S2	N3	H4	H5	H6
C1		1.6350	1.3379	1.0904	2.0301	2.0503
S2	1.6350		2.6536	2.3908	2.8302	3.5672
N3	1.3379	2.6536		2.0244	1.0054	1.0030
H4	1.0904	2.3908	2.0244		2.9337	2.2875
H5	2.0301	2.8302	1.0054	2.9337		1.7301
H6	2.0503	3.5672	1.0030	2.2875	1.7301

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.396	C1	N3	H6	121.643
S2	C1	N3	126.111	S2	C1	H4	121.329
H5	N3	H6	118.961

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCD/6-31G(2df,p)

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/6-31G(2df,p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)