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	hartrees
Energy at 0K	-492.229896
Energy at 298.15K	-492.233552
HF Energy	-491.636229
Nuclear repulsion energy	94.525223

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)
1	A'	3732	3560
2	A'	3589	3423
3	A'	3106	2962
4	A'	1648	1571
5	A'	1464	1396
6	A'	1307	1247
7	A'	1141	1088
8	A'	889	848
9	A'	432	412
10	A"	956	912
11	A"	619	590
12	A"	317	302

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.780	-0.803
N3	1.335	0.813
H4	-0.547	1.585
H5	1.939	0.005
H6	1.743	1.732

	C1	S2	N3	H4	H5	H6
C1		1.6406	1.3462	1.0913	2.0400	2.0565
S2	1.6406		2.6617	2.3993	2.8364	3.5766
N3	1.3462	2.6617		2.0340	1.0081	1.0058
H4	1.0913	2.3993	2.0340		2.9448	2.2940
H5	2.0400	2.8364	1.0081	2.9448		1.7380
H6	2.0565	3.5766	1.0058	2.2940	1.7380

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.416	C1	N3	H6	121.265
S2	C1	N3	125.752	S2	C1	H4	121.552
H5	N3	H6	119.319

All results from a given calculation for CHSNH₂ (thioformamide)

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

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)