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	hartrees
Energy at 0K	-239.087120
Energy at 298.15K	-239.089945
HF Energy	-239.087120
Nuclear repulsion energy	76.842880

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	3055	2944	45.30	114.62	0.10	0.18
2	A₁	1530	1474	1.02	5.28	0.75	0.86
3	A₁	1102	1062	110.01	4.50	0.25	0.40
4	A₁	524	505	4.97	2.05	0.69	0.81
5	A₂	1272	1225	0.00	10.84	0.75	0.86
6	B₁	3128	3013	40.84	45.13	0.75	0.86
7	B₁	1185	1141	18.96	2.08	0.75	0.86
8	B₂	1472	1418	24.59	5.32	0.75	0.86
9	B₂	1067	1028	265.10	2.76	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.913	0.000	1.103
H3	0.913	0.000	1.103
F4	0.000	1.109	-0.291
F5	0.000	-1.109	-0.291

	C1	H2	H3	F4	F5
C1		1.0912	1.0912	1.3646	1.3646
H2	1.0912		1.8254	2.0010	2.0010
H3	1.0912	1.8254		2.0010	2.0010
F4	1.3646	2.0010	2.0010		2.2174
F5	1.3646	2.0010	2.0010	2.2174

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.531	H2	C1	F4	108.633
H2	C1	F5	108.633	H3	C1	F4	108.633
H3	C1	F5	108.633	F4	C1	F5	108.681

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

using model chemistry: B3LYPultrafine/TZVP

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	0.231
2	H	0.104
3	H	0.104
4	F	-0.219
5	F	-0.219

	x	y	z	Total
	0.000	0.000	2.069	2.069
CHELPG
AIM
ESP

<r²>	39.714
(<r²>)^1/2	6.302

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

using model chemistry: B3LYPultrafine/TZVP

States and conformations

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