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State	Conformation	minimum conformation	conformer description	state description
1	1	yes	CS	¹A^'
2	1	yes	CS	³A^"

	hartrees
Energy at 0K	-137.754532
Energy at 298.15K
HF Energy	-137.754532
Nuclear repulsion energy	27.469077

Atom	x (Å)	y (Å)
H1	-1.009	0.958
C2	0.067	0.713
F3	0.067	-0.582

	H1	C2	F3
H1		1.1036	1.8786
C2	1.1036		1.2955
F3	1.8786	1.2955

Number	Element	Mulliken
1	H	0.121
2	C	0.165
3	F	-0.287

All results from a given calculation for HCF (Fluoromethylene)

using model chemistry: HF/6-31G*

States and conformations

State 1 (¹A^')

State 2 (³A^")

	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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	x	y	Total
	-1.468	0.089	1.471
CHELPG	-1.334	0.219	1.352
AIM	-0.588	-1.802	1.895
ESP	-1.313	0.122	1.319

	hartrees
Energy at 0K	-137.764272
Energy at 298.15K	-137.764149
HF Energy	-137.764272
Nuclear repulsion energy	27.048527

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'	3384	3040	11.29	83.32	0.24	0.39
2	A'	1367	1229	112.66	2.60	0.27	0.43
3	A'	1231	1106	40.24	8.75	0.74	0.85

	x	y	z
x	1.775	-0.359	0.000
y	-0.359	1.564	0.000
z	0.000	0.000	1.300

<r²>	15.142
(<r²>)^1/2	3.891

	H1	C2	F3
H1		1.0738	2.0798
C2	1.0738		1.3107
F3	2.0798	1.3107

	x	y	z
x	1.277	-0.261	0.000
y	-0.261	1.580	0.000
z	0.000	0.000	0.869

All results from a given calculation for HCF (Fluoromethylene)

using model chemistry: HF/6-31G*

States and conformations

State 1 (1A')

State 2 (3A")

State 1 (¹A^')

State 2 (³A^")