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	hartrees
Energy at 0K	-492.176487
Energy at 298.15K	-492.180203
HF Energy	-491.636532
Nuclear repulsion energy	94.933515

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'	3752	3540	63.43	76.05	0.55	0.71
2	A'	3601	3397	82.66	191.46	0.11	0.19
3	A'	3130	2953	18.78	130.67	0.33	0.49
4	A'	1649	1555	196.07	3.26	0.49	0.65
5	A'	1479	1395	198.82	5.38	0.06	0.12
6	A'	1323	1248	154.09	6.13	0.75	0.86
7	A'	1152	1087	15.34	19.51	0.15	0.26
8	A'	917	865	6.37	35.50	0.16	0.28
9	A'	439	414	1.30	3.61	0.35	0.52
10	A"	967	912	33.23	1.53	0.75	0.86
11	A"	629	593	1.34	0.04	0.75	0.86
12	A"	348	329	180.08	0.32	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.635
S2	-0.779	-0.796
N3	1.333	0.804
H4	-0.541	1.581
H5	1.934	-0.004
H6	1.743	1.722

	C1	S2	N3	H4	H5	H6
C1		1.6291	1.3434	1.0899	2.0364	2.0546
S2	1.6291		2.6497	2.3886	2.8257	3.5641
N3	1.3434	2.6497		2.0283	1.0076	1.0051
H4	1.0899	2.3886	2.0283		2.9389	2.2891
H5	2.0364	2.8257	1.0076	2.9389		1.7366
H6	2.0546	3.5641	1.0051	2.2891	1.7366

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.346	C1	N3	H6	121.387
S2	C1	N3	125.829	S2	C1	H4	121.657
H5	N3	H6	119.268

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2/6-311+G(3df,2p)

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: MP2/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)