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	hartrees
Energy at 0K	-492.817006
Energy at 298.15K	-492.820758
HF Energy	-492.817006
Nuclear repulsion energy	94.741934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3741	3741	50.20
2	A'	3606	3606	73.80
3	A'	3140	3140	23.60
4	A'	1684	1684	216.49
5	A'	1491	1491	216.49
6	A'	1342	1342	152.21
7	A'	1163	1163	31.55
8	A'	902	902	25.70
9	A'	444	444	1.65
10	A"	973	973	35.89
11	A"	636	636	12.56
12	A"	382	382	246.92

Atom	x (Å)	y (Å)
C1	0.000	0.637
S2	-0.773	-0.808
N3	1.324	0.824
H4	-0.559	1.574
H5	1.937	0.023
H6	1.730	1.745

	C1	S2	N3	H4	H5	H6
C1		1.6388	1.3367	1.0909	2.0322	2.0544
S2	1.6388		2.6570	2.3912	2.8351	3.5753
N3	1.3367	2.6570		2.0264	1.0090	1.0066
H4	1.0909	2.3912	2.0264		2.9387	2.2955
H5	2.0322	2.8351	1.0090	2.9387		1.7341
H6	2.0544	3.5753	1.0066	2.2955	1.7341

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	N3	H5	119.422	C1	N3	H6	121.861
S2	C1	N3	126.197	S2	C1	H4	121.013
H5	N3	H6	118.717

All results from a given calculation for CHSNH₂ (thioformamide)

using model chemistry: M06-2X/6-311G*

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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Number	Element	Mulliken
1	C	-0.150
2	S	-0.157
3	N	-0.712
4	H	0.243
5	H	0.397
6	H	0.378

	x	y	z	Total
	3.387	3.258	0.000	4.700
CHELPG
AIM
ESP

	x	y	z
x	6.316	2.358	0.000
y	2.358	6.797	0.000
z	0.000	0.000	2.480

<r²>	67.308
(<r²>)^1/2	8.204

All results from a given calculation for CHSNH2 (thioformamide)

using model chemistry: M06-2X/6-311G*

States and conformations

All results from a given calculation for CHSNH₂ (thioformamide)