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	hartrees
Energy at 0K	-492.051649
Energy at 298.15K	-492.055180
HF Energy	-491.595639
Nuclear repulsion energy	94.215503

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3771	3608	55.85
2	A'	3623	3466	92.51
3	A'	3138	3002	27.04
4	A'	1653	1582	248.15
5	A'	1501	1436	186.75
6	A'	1331	1274	163.48
7	A'	1158	1108	21.33
8	A'	918	878	13.52
9	A'	440	421	1.75
10	A"	983	940	23.79
11	A"	629	602	3.20
12	A"	200	191	198.67

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.780	-0.809
N3	1.336	0.821
H4	-0.552	1.595
H5	1.946	0.012
H6	1.743	1.747

	C1	S2	N3	H4	H5	H6
C1		1.6445	1.3480	1.1039	2.0447	2.0654
S2	1.6445		2.6709	2.4146	2.8472	3.5915
N3	1.3480	2.6709		2.0399	1.0140	1.0116
H4	1.1039	2.4146	2.0399		2.9575	2.2996
H5	2.0447	2.8472	1.0140	2.9575		1.7474
H6	2.0654	3.5915	1.0116	2.2996	1.7474

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.247	C1	N3	H6	121.514
S2	C1	N3	126.099	S2	C1	H4	121.690
H5	N3	H6	119.239

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CCD/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/cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)