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	hartrees
Energy at 0K	-238.844813
Energy at 298.15K	-238.847593
HF Energy	-238.844813
Nuclear repulsion energy	76.382580

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	2965	2965	42.99	131.54	0.06	0.12
2	A₁	1467	1467	0.07	3.48	0.71	0.83
3	A₁	1071	1071	90.09	6.73	0.15	0.26
4	A₁	506	506	3.71	1.27	0.62	0.76
5	A₂	1216	1216	0.00	4.55	0.75	0.86
6	B₁	3035	3035	33.19	48.89	0.75	0.86
7	B₁	1135	1135	12.80	0.60	0.75	0.86
8	B₂	1388	1388	8.32	0.83	0.75	0.86
9	B₂	1025	1025	257.44	2.19	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.508
H2	-0.921	0.000	1.109
H3	0.921	0.000	1.109
F4	0.000	1.115	-0.293
F5	0.000	-1.115	-0.293

	C1	H2	H3	F4	F5
C1		1.1003	1.1003	1.3725	1.3725
H2	1.1003		1.8427	2.0143	2.0143
H3	1.1003	1.8427		2.0143	2.0143
F4	1.3725	2.0143	2.0143		2.2295
F5	1.3725	2.0143	2.0143	2.2295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.729	H2	C1	F4	108.596
H2	C1	F5	108.596	H3	C1	F4	108.596
H3	C1	F5	108.596	F4	C1	F5	108.623

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

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

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	0.491
2	H	0.350
3	H	0.350
4	F	-0.596
5	F	-0.596

	x	y	z	Total
	0.000	0.000	1.851	1.851
CHELPG
AIM
ESP

<r²>	40.118
(<r²>)^1/2	6.334

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

using model chemistry: PBEPBEultrafine/daug-cc-pVTZ

States and conformations

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