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	hartrees
Energy at 0K	-490.191388
Energy at 298.15K
HF Energy	-490.076671
Nuclear repulsion energy	94.078008

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3642	3642	39.45
2	A'	3509	3509	65.97
3	A'	3129	3129	25.39
4	A'	1705	1705	120.23
5	A'	1497	1497	133.81
6	A'	1331	1331	177.91
7	A'	1191	1191	13.29
8	A'	887	887	11.00
9	A'	444	444	2.33
10	A"	995	995	27.34
11	A"	698	698	130.40
12	A"	536	536	189.22

Atom	x (Å)	y (Å)
C1	0.000	0.641
S2	-0.783	-0.809
N3	1.340	0.822
H4	-0.552	1.581
H5	1.950	0.011
H6	1.754	1.747

	C1	S2	N3	H4	H5	H6
C1		1.6479	1.3518	1.0900	2.0494	2.0735
S2	1.6479		2.6770	2.4008	2.8534	3.6013
N3	1.3518	2.6770		2.0384	1.0154	1.0134
H4	1.0900	2.4008	2.0384		2.9541	2.3123
H5	2.0494	2.8534	1.0154	2.9541		1.7473
H6	2.0735	3.6013	1.0134	2.3123	1.7473

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.254	C1	N3	H6	121.832
S2	C1	N3	126.073	S2	C1	H4	121.183
H5	N3	H6	118.913

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULLultrafine/3-21G*

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: B2PLYP=FULLultrafine/3-21G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)