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	hartrees
Energy at 0K	-492.137718
Energy at 298.15K	-492.141450
HF Energy	-491.587771
Nuclear repulsion energy	95.064515

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'	3790	3562	68.84	73.23	0.61	0.76
2	A'	3640	3421	106.30	133.09	0.14	0.24
3	A'	3171	2980	17.36	101.86	0.35	0.52
4	A'	1654	1555	205.95	3.25	0.71	0.83
5	A'	1501	1411	190.89	0.57	0.59	0.74
6	A'	1350	1268	110.82	5.17	0.73	0.85
7	A'	1159	1089	13.65	17.80	0.27	0.42
8	A'	922	866	5.92	30.01	0.22	0.37
9	A'	444	417	1.85	3.67	0.53	0.69
10	A"	994	935	24.61	0.84	0.75	0.86
11	A"	654	614	4.56	0.80	0.75	0.86
12	A"	344	324	188.66	0.15	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.634
S2	-0.776	-0.798
N3	1.327	0.808
H4	-0.541	1.580
H5	1.929	0.002
H6	1.740	1.723

	C1	S2	N3	H4	H5	H6
C1		1.6285	1.3386	1.0896	2.0299	2.0527
S2	1.6285		2.6464	2.3892	2.8208	3.5616
N3	1.3386	2.6464		2.0211	1.0062	1.0036
H4	1.0896	2.3892	2.0211		2.9308	2.2851
H5	2.0299	2.8208	1.0062	2.9308		1.7316
H6	2.0527	3.5616	1.0036	2.2851	1.7316

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.247	C1	N3	H6	121.762
S2	C1	N3	125.948	S2	C1	H4	121.781
H5	N3	H6	118.991

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2=FULL/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: MP2=FULL/6-31G(2df,p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)