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	hartrees
Energy at 0K	-492.673879
Energy at 298.15K
HF Energy	-492.503463
Nuclear repulsion energy	94.423589

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3720	3720	48.07
2	A'	3581	3581	61.60
3	A'	3128	3128	25.92
4	A'	1654	1654	171.79
5	A'	1471	1471	160.03
6	A'	1318	1318	156.61
7	A'	1152	1152	19.06
8	A'	884	884	11.93
9	A'	436	436	1.47
10	A"	950	950	35.77
11	A"	614	614	1.73
12	A"	300	300	206.51

Atom	x (Å)	y (Å)
C1	0.000	0.642
S2	-0.778	-0.810
N3	1.331	0.823
H4	-0.551	1.581
H5	1.939	0.019
H6	1.737	1.743

	C1	S2	N3	H4	H5	H6
C1		1.6465	1.3430	1.0884	2.0366	2.0564
S2	1.6465		2.6664	2.4008	2.8404	3.5828
N3	1.3430	2.6664		2.0285	1.0077	1.0056
H4	1.0884	2.4008	2.0285		2.9390	2.2935
H5	2.0366	2.8404	1.0077	2.9390		1.7351
H6	2.0564	3.5828	1.0056	2.2935	1.7351

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.396	C1	N3	H6	121.567
S2	C1	N3	125.927	S2	C1	H4	121.414
H5	N3	H6	119.037

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULLultrafine/TZVP

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/TZVP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)