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	hartrees
Energy at 0K	-492.755595
Energy at 298.15K
HF Energy	-492.517974
Nuclear repulsion energy	94.833304

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3725	3725	49.53
2	A'	3584	3584	58.04
3	A'	3116	3116	25.00
4	A'	1642	1642	172.50
5	A'	1470	1470	159.37
6	A'	1315	1315	142.20
7	A'	1150	1150	17.97
8	A'	892	892	11.03
9	A'	436	436	1.82
10	A"	969	969	26.48
11	A"	633	633	3.31
12	A"	328	328	178.52

Atom	x (Å)	y (Å)
C1	0.000	0.636
S2	-0.777	-0.802
N3	1.330	0.813
H4	-0.545	1.577
H5	1.933	0.008
H6	1.736	1.731

	C1	S2	N3	H4	H5	H6
C1		1.6343	1.3417	1.0874	2.0321	2.0527
S2	1.6343		2.6548	2.3900	2.8282	3.5681
N3	1.3417	2.6548		2.0245	1.0057	1.0034
H4	1.0874	2.3900	2.0245		2.9326	2.2866
H5	2.0321	2.8282	1.0057	2.9326		1.7337
H6	2.0527	3.5681	1.0034	2.2866	1.7337

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.224	C1	N3	H6	121.489
S2	C1	N3	125.986	S2	C1	H4	121.528
H5	N3	H6	119.287

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULLultrafine/Def2TZVPP

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/Def2TZVPP

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)