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	hartrees
Energy at 0K	-492.197406
Energy at 298.15K	-492.201062
HF Energy	-491.643388
Nuclear repulsion energy	94.784392

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'	3736	3560	61.84	79.78	0.55	0.71
2	A'	3585	3416	80.02	210.61	0.09	0.17
3	A'	3132	2985	18.53	132.43	0.33	0.49
4	A'	1638	1561	196.09	3.83	0.44	0.61
5	A'	1471	1402	194.65	8.10	0.06	0.11
6	A'	1318	1256	151.08	5.61	0.75	0.86
7	A'	1146	1092	15.12	20.26	0.17	0.29
8	A'	910	867	6.13	39.47	0.14	0.25
9	A'	435	415	1.43	3.14	0.32	0.48
10	A"	964	919	32.20	1.31	0.75	0.86
11	A"	625	596	0.73	0.03	0.75	0.86
12	A"	301	287	176.26	0.22	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.638
S2	-0.779	-0.799
N3	1.334	0.807
H4	-0.543	1.581
H5	1.932	-0.003
H6	1.744	1.724

	C1	S2	N3	H4	H5	H6
C1		1.6342	1.3443	1.0890	2.0357	2.0549
S2	1.6342		2.6539	2.3918	2.8260	3.5684
N3	1.3443	2.6539		2.0302	1.0075	1.0048
H4	1.0890	2.3918	2.0302		2.9392	2.2918
H5	2.0357	2.8260	1.0075	2.9392		1.7376
H6	2.0549	3.5684	1.0048	2.2918	1.7376

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.214	C1	N3	H6	121.361
S2	C1	N3	125.731	S2	C1	H4	121.589
H5	N3	H6	119.425

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2/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: MP2/aug-cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)