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	hartrees
Energy at 0K	-492.609924
Energy at 298.15K	-492.613604
HF Energy	-492.458245
Nuclear repulsion energy	94.328423

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3750	3567	53.36
2	A'	3604	3427	66.11
3	A'	3153	2998	25.43
4	A'	1665	1583	184.37
5	A'	1477	1404	177.54
6	A'	1326	1261	164.48
7	A'	1156	1099	19.38
8	A'	891	848	13.18
9	A'	439	418	1.48
10	A"	963	916	37.25
11	A"	612	582	2.22
12	A"	338	322	224.67

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.780	-0.808
N3	1.335	0.821
H4	-0.550	1.581
H5	1.947	0.018
H6	1.742	1.742

	C1	S2	N3	H4	H5	H6
C1		1.6447	1.3475	1.0900	2.0440	2.0616
S2	1.6447		2.6699	2.3998	2.8494	3.5870
N3	1.3475	2.6699		2.0330	1.0096	1.0074
H4	1.0900	2.3998	2.0330		2.9462	2.2981
H5	2.0440	2.8494	1.0096	2.9462		1.7369
H6	2.0616	3.5870	1.0074	2.2981	1.7369

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.576	C1	N3	H6	121.530
S2	C1	N3	126.035	S2	C1	H4	121.356
H5	N3	H6	118.895

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: B2PLYP=FULL/6-31+G**

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=FULL/6-31+G**

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)