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	hartrees
Energy at 0K	-492.129324
Energy at 298.15K	-492.133126
HF Energy	-491.637260
Nuclear repulsion energy	95.374387

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3857	3556	66.00
2	A'	3717	3427	93.42
3	A'	3212	2961	13.88
4	A'	1714	1580	209.09
5	A'	1529	1410	226.83
6	A'	1356	1250	215.27
7	A'	1190	1097	36.03
8	A'	932	859	25.95
9	A'	452	416	1.73
10	A"	1025	945	24.93
11	A"	651	600	5.18
12	A"	387	356	191.10

Atom	x (Å)	y (Å)
C1	0.000	0.632
S2	-0.771	-0.800
N3	1.319	0.814
H4	-0.551	1.564
H5	1.926	0.020
H6	1.717	1.728

	C1	S2	N3	H4	H5	H6
C1		1.6261	1.3319	1.0828	2.0210	2.0372
S2	1.6261		2.6406	2.3744	2.8186	3.5468
N3	1.3319	2.6406		2.0151	0.9992	0.9969
H4	1.0828	2.3744	2.0151		2.9188	2.2739
H5	2.0210	2.8186	0.9992	2.9188		1.7207
H6	2.0372	3.5468	0.9969	2.2739	1.7207

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.530	C1	N3	H6	121.373
S2	C1	N3	126.144	S2	C1	H4	121.139
H5	N3	H6	119.097

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: CISD/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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Calc. vs exp. Bad Vib. HF vs MP2 Bad scale factors Low excited states Oddities NaCN Is not linear FAQ Help Units Choose Units Energy Bond length Rotational Constant Moment of Inertia Dipole and Quadrupole Polarizability Explanations Hartree cm-1 Debye Credits Just show me Show me a calculated geometry Summary Using older interface Limit Basis sets Method options List Recent molecules Choose a few Molecules Number of atoms By heavy atoms Diatomics InChI Deuterated Dimers Geometry Point group Point group count Bonds types Isodesmic reactions Bad point group Multiple conformers, states Vibrations Big anharmonicity Energy Enthalpy at 0 Kelvin Similar molecules Similar Isomers Cis/trans Tautomers Multiple conformers, states Ions, Dipoles, etc. List Ions Ionization changes point group Dipole Quadrupole Polarizability Proton Affinities Index of CCCBDB Feedback Error form Wants
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All results from a given calculation for CHSNH2 (thioformamide)

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

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)