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	hartrees
Energy at 0K	-489.539141
Energy at 298.15K	-489.543060
HF Energy	-489.202889
Nuclear repulsion energy	94.023974

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3657	3467	45.92	89.94	0.64	0.78
2	A'	3518	3335	95.29	147.79	0.16	0.27
3	A'	3135	2972	25.46	104.61	0.36	0.53
4	A'	1726	1636	117.55	5.82	0.73	0.84
5	A'	1518	1439	140.01	1.20	0.32	0.49
6	A'	1340	1270	220.62	7.77	0.72	0.83
7	A'	1207	1144	9.52	17.19	0.34	0.51
8	A'	909	861	6.19	32.86	0.29	0.44
9	A'	453	429	1.89	5.49	0.60	0.75
10	A"	1005	952	31.01	0.97	0.75	0.86
11	A"	687	652	104.12	1.60	0.75	0.86
12	A"	525	498	221.48	0.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.786	-0.806
N3	1.344	0.819
H4	-0.554	1.580
H5	1.954	0.006
H6	1.760	1.744

	C1	S2	N3	H4	H5	H6
C1		1.6453	1.3565	1.0919	2.0542	2.0778
S2	1.6453		2.6795	2.3976	2.8580	3.6033
N3	1.3565	2.6795		2.0455	1.0162	1.0138
H4	1.0919	2.3976	2.0455		2.9613	2.3197
H5	2.0542	2.8580	1.0162	2.9613		1.7487
H6	2.0778	3.6033	1.0138	2.3197	1.7487

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.256	C1	N3	H6	121.797
S2	C1	N3	126.145	S2	C1	H4	120.970
H5	N3	H6	118.947

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2=FULL/3-21G*

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: MP2=FULL/3-21G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)