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	hartrees
Energy at 0K	-239.081791
Energy at 298.15K
HF Energy	-239.081791
Nuclear repulsion energy	77.040540

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)	Raman Act (Å⁴/u)	Dep P	Dep U
1	A₁	3043	3043	45.86	116.73	0.09	0.16
2	A₁	1535	1535	0.67	4.59	0.70	0.82
3	A₁	1113	1113	100.48	3.63	0.28	0.44
4	A₁	526	526	4.38	1.57	0.68	0.81
5	A₂	1272	1272	0.00	7.24	0.75	0.86
6	B₁	3112	3112	44.54	45.88	0.75	0.86
7	B₁	1185	1185	18.23	1.59	0.75	0.86
8	B₂	1463	1463	16.28	2.36	0.75	0.86
9	B₂	1085	1085	239.59	2.56	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.503
H2	-0.910	0.000	1.104
H3	0.910	0.000	1.104
F4	0.000	1.105	-0.290
F5	0.000	-1.105	-0.290

	C1	H2	H3	F4	F5
C1		1.0907	1.0907	1.3605	1.3605
H2	1.0907		1.8204	1.9985	1.9985
H3	1.0907	1.8204		1.9985	1.9985
F4	1.3605	1.9985	1.9985		2.2108
F5	1.3605	1.9985	1.9985	2.2108

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.127	H2	C1	F4	108.738
H2	C1	F5	108.738	H3	C1	F4	108.738
H3	C1	F5	108.738	F4	C1	F5	108.678

All results from a given calculation for CH₂F₂ (Methane, difluoro-)

using model chemistry: B3LYPultrafine/cc-pV(T+d)Z

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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Number	Element	Mulliken
1	C	0.345
2	H	0.037
3	H	0.037
4	F	-0.209
5	F	-0.209

	x	y	z	Total
	0.000	0.000	1.872	1.872
CHELPG
AIM
ESP

<r²>	39.403
(<r²>)^1/2	6.277

All results from a given calculation for CH2F2 (Methane, difluoro-)

using model chemistry: B3LYPultrafine/cc-pV(T+d)Z

States and conformations

All results from a given calculation for CH₂F₂ (Methane, difluoro-)