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	hartrees
Energy at 0K	-492.443801
Energy at 298.15K	-492.447478
HF Energy	-491.636347
Nuclear repulsion energy	94.632942

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3736	3736
2	A'	3589	3589
3	A'	3101	3101
4	A'	1646	1646
5	A'	1465	1465
6	A'	1312	1312
7	A'	1140	1140
8	A'	894	894
9	A'	432	432
10	A"	957	957
11	A"	622	622
12	A"	331	331

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.780	-0.802
N3	1.334	0.812
H4	-0.544	1.583
H5	1.940	0.007
H6	1.742	1.731

	C1	S2	N3	H4	H5	H6
C1		1.6368	1.3457	1.0913	2.0397	2.0567
S2	1.6368		2.6597	2.3965	2.8371	3.5740
N3	1.3457	2.6597		2.0308	1.0076	1.0052
H4	1.0913	2.3965	2.0308		2.9422	2.2910
H5	2.0397	2.8371	1.0076	2.9422		1.7357
H6	2.0567	3.5740	1.0052	2.2910	1.7357

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.469	C1	N3	H6	121.377
S2	C1	N3	125.912	S2	C1	H4	121.622
H5	N3	H6	119.155

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP4=FULL/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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HF vs MP2 Bad vib. Calc. vs exp. 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All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: MP4=FULL/6-311+G(3df,2p)

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)