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	hartrees
Energy at 0K	-489.522646
Energy at 298.15K	-489.526563
HF Energy	-489.202862
Nuclear repulsion energy	94.000700

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A'	3656	3478	45.94	89.95	0.64	0.78
2	A'	3517	3346	95.35	147.78	0.16	0.27
3	A'	3134	2982	25.48	104.52	0.36	0.53
4	A'	1725	1641	117.41	5.83	0.73	0.84
5	A'	1519	1445	139.00	1.22	0.33	0.49
6	A'	1340	1275	222.16	7.80	0.72	0.83
7	A'	1207	1148	9.40	17.16	0.34	0.51
8	A'	909	864	6.19	32.88	0.29	0.44
9	A'	453	431	1.90	5.51	0.60	0.75
10	A"	1004	955	31.06	0.96	0.75	0.86
11	A"	686	653	102.91	1.61	0.75	0.86
12	A"	523	498	222.67	0.49	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.639
S2	-0.786	-0.807
N3	1.345	0.820
H4	-0.555	1.580
H5	1.955	0.008
H6	1.759	1.745

	C1	S2	N3	H4	H5	H6
C1		1.6458	1.3567	1.0920	2.0547	2.0779
S2	1.6458		2.6804	2.3978	2.8592	3.6041
N3	1.3567	2.6804		2.0459	1.0163	1.0139
H4	1.0920	2.3978	2.0459		2.9618	2.3199
H5	2.0547	2.8592	1.0163	2.9618		1.7488
H6	2.0779	3.6041	1.0139	2.3199	1.7488

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.271	C1	N3	H6	121.782
S2	C1	N3	126.167	S2	C1	H4	120.942
H5	N3	H6	118.947

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2/3-21G*

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: MP2/3-21G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)