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	hartrees
Energy at 0K	-492.199259
Energy at 298.15K	-492.202998
HF Energy	-491.636918
Nuclear repulsion energy	95.042425

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3798	3798	60.53
2	A'	3659	3659	90.83
3	A'	3160	3160	13.12
4	A'	1679	1679	210.98
5	A'	1500	1500	223.87
6	A'	1331	1331	207.47
7	A'	1167	1167	28.24
8	A'	921	921	17.24
9	A'	443	443	1.55
10	A"	988	988	29.64
11	A"	632	632	2.62
12	A"	357	357	185.16

Atom	x (Å)	y (Å)
C1	0.000	0.634
S2	-0.775	-0.800
N3	1.327	0.811
H4	-0.549	1.573
H5	1.932	0.011
H6	1.730	1.728

	C1	S2	N3	H4	H5	H6
C1		1.6301	1.3388	1.0873	2.0302	2.0467
S2	1.6301		2.6486	2.3835	2.8259	3.5588
N3	1.3388	2.6486		2.0244	1.0036	1.0013
H4	1.0873	2.3835	2.0244		2.9317	2.2838
H5	2.0302	2.8259	1.0036	2.9317		1.7293
H6	2.0467	3.5588	1.0013	2.2838	1.7293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.471	C1	N3	H6	121.326
S2	C1	N3	125.994	S2	C1	H4	121.304
H5	N3	H6	119.204

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP3/6-311+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: MP3/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)