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	hartrees
Energy at 0K	-492.040523
Energy at 298.15K	-492.044061
HF Energy	-491.595536
Nuclear repulsion energy	94.229605

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'	3761	3574	60.65	89.67	0.63	0.77
2	A'	3601	3423	86.69	157.88	0.15	0.26
3	A'	3144	2988	31.96	137.25	0.33	0.50
4	A'	1637	1556	234.75	4.44	0.72	0.84
5	A'	1490	1416	145.15	0.68	0.75	0.86
6	A'	1334	1268	101.47	5.42	0.74	0.85
7	A'	1149	1092	10.93	19.09	0.33	0.50
8	A'	917	872	4.34	29.35	0.25	0.40
9	A'	438	417	1.65	5.33	0.66	0.80
10	A"	972	924	28.25	1.01	0.75	0.86
11	A"	634	603	2.05	1.28	0.75	0.86
12	A"	206	196	192.88	0.40	0.75	0.86

Atom	x (Å)	y (Å)
C1	0.000	0.640
S2	-0.782	-0.805
N3	1.339	0.815
H4	-0.544	1.599
H5	1.942	-0.000
H6	1.751	1.739

	C1	S2	N3	H4	H5	H6
C1		1.6433	1.3500	1.1027	2.0452	2.0680
S2	1.6433		2.6692	2.4157	2.8412	3.5910
N3	1.3500	2.6692		2.0395	1.0148	1.0121
H4	1.1027	2.4157	2.0395		2.9566	2.3002
H5	2.0452	2.8412	1.0148	2.9566		1.7502
H6	2.0680	3.5910	1.0121	2.3002	1.7502

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.045	C1	N3	H6	121.539
S2	C1	N3	125.902	S2	C1	H4	121.979
H5	N3	H6	119.416

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: MP2=FULL/cc-pVDZ

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=FULL/cc-pVDZ

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)