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	hartrees
Energy at 0K	-492.078257
Energy at 298.15K	-492.081937
HF Energy	-491.606990
Nuclear repulsion energy	94.073298

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'	3735	3620	56.53	78.25	0.57	0.73
2	A'	3577	3467	79.03	214.49	0.10	0.18
3	A'	3148	3051	21.28	136.33	0.33	0.49
4	A'	1644	1593	200.59	3.47	0.52	0.69
5	A'	1470	1425	204.33	7.06	0.10	0.19
6	A'	1315	1275	142.54	5.96	0.75	0.86
7	A'	1145	1110	14.65	20.64	0.17	0.29
8	A'	908	880	5.79	42.08	0.16	0.27
9	A'	433	419	1.41	3.41	0.36	0.53
10	A"	957	927	36.23	1.59	0.75	0.86
11	A"	620	601	0.91	0.03	0.75	0.86
12	A"	327	317	176.87	0.22	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.642
S2	-0.784	-0.806
N3	1.342	0.816
H4	-0.549	1.595
H5	1.948	0.003
H6	1.752	1.740

	C1	S2	N3	H4	H5	H6
C1		1.6471	1.3535	1.0996	2.0501	2.0679
S2	1.6471		2.6745	2.4128	2.8495	3.5941
N3	1.3535	2.6745		2.0454	1.0135	1.0112
H4	1.0996	2.4128	2.0454		2.9611	2.3057
H5	2.0501	2.8495	1.0135	2.9611		1.7478
H6	2.0679	3.5941	1.0112	2.3057	1.7478

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.333	C1	N3	H6	121.295
S2	C1	N3	125.799	S2	C1	H4	121.630
H5	N3	H6	119.372

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2=FULL/aug-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: MP2=FULL/aug-cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)