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	hartrees
Energy at 0K	-492.388135
Energy at 298.15K	-492.391873
HF Energy	-491.636714
Nuclear repulsion energy	95.116027

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'	3761	3546	63.71	75.87	0.55	0.71
2	A'	3610	3403	82.81	189.88	0.11	0.19
3	A'	3140	2960	18.76	130.73	0.33	0.49
4	A'	1651	1556	202.32	3.23	0.47	0.64
5	A'	1484	1399	200.33	5.40	0.07	0.12
6	A'	1329	1253	146.75	6.03	0.75	0.86
7	A'	1155	1089	15.12	19.46	0.15	0.26
8	A'	920	867	6.28	34.70	0.16	0.28
9	A'	440	415	1.30	3.56	0.35	0.52
10	A"	971	916	32.97	1.54	0.75	0.86
11	A"	633	596	1.83	0.03	0.75	0.86
12	A"	364	343	180.53	0.33	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.633
S2	-0.777	-0.795
N3	1.330	0.804
H4	-0.541	1.577
H5	1.931	-0.003
H6	1.740	1.720

	C1	S2	N3	H4	H5	H6
C1		1.6254	1.3408	1.0884	2.0331	2.0515
S2	1.6254		2.6449	2.3834	2.8217	3.5580
N3	1.3408	2.6449		2.0247	1.0064	1.0038
H4	1.0884	2.3834	2.0247		2.9344	2.2855
H5	2.0331	2.8217	1.0064	2.9344		1.7340
H6	2.0515	3.5580	1.0038	2.2855	1.7340

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.360	C1	N3	H6	121.419
S2	C1	N3	125.899	S2	C1	H4	121.594
H5	N3	H6	119.221

All results from a given calculation for CHSNH₂ (thioformamide)

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

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)