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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	-138.029602
Energy at 298.15K
HF Energy	-137.753793
Nuclear repulsion energy	26.978193

Atom	x (Å)	y (Å)
H1	-1.027	0.965
C2	0.068	0.724
F3	0.068	-0.590

	H1	C2	F3
H1		1.1212	1.9014
C2	1.1212		1.3135
F3	1.9014	1.3135

	hartrees
Energy at 0K	-138.016064
Energy at 298.15K	-138.015931
HF Energy	-137.763861
Nuclear repulsion energy	26.686574

All results from a given calculation for HCF (Fluoromethylene)

using model chemistry: MP2/6-31G*

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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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'	3247	3062	10.04	81.78	0.24	0.39
2	A'	1302	1228	85.80	3.26	0.28	0.43
3	A'	1166	1099	35.72	9.37	0.75	0.86

	H1	C2	F3
H1		1.0857	2.1067
C2	1.0857		1.3290
F3	2.1067	1.3290

All results from a given calculation for HCF (Fluoromethylene)

using model chemistry: MP2/6-31G*

States and conformations

State 1 (1A')

State 2 (3A")

State 1 (¹A^')

State 2 (³A^")