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	hartrees
Energy at 0K	-492.718677
Energy at 298.15K	-492.722377
HF Energy	-492.519103
Nuclear repulsion energy	94.726515

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3724	3559	47.90
2	A'	3585	3426	58.46
3	A'	3122	2984	25.07
4	A'	1648	1575	171.01
5	A'	1471	1406	163.65
6	A'	1322	1263	128.47
7	A'	1147	1097	17.41
8	A'	889	849	11.61
9	A'	435	415	2.07
10	A"	972	930	25.56
11	A"	635	607	4.00
12	A"	337	322	175.86

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.775	-0.806
N3	1.327	0.819
H4	-0.550	1.575
H5	1.933	0.017
H6	1.732	1.738

	C1	S2	N3	H4	H5	H6
C1		1.6399	1.3397	1.0862	2.0307	2.0509
S2	1.6399		2.6579	2.3922	2.8307	3.5716
N3	1.3397	2.6579		2.0239	1.0056	1.0033
H4	1.0862	2.3922	2.0239		2.9317	2.2873
H5	2.0307	2.8307	1.0056	2.9317		1.7329
H6	2.0509	3.5716	1.0033	2.2873	1.7329

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.277	C1	N3	H6	121.501
S2	C1	N3	125.971	S2	C1	H4	121.360
H5	N3	H6	119.222

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULL/cc-pVTZ

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=FULL/cc-pVTZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)