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	hartrees
Energy at 0K	-238.836903
Energy at 298.15K	-238.839700
HF Energy	-238.836903
Nuclear repulsion energy	76.506767

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	2955	2935	48.44	125.08	0.09	0.16
2	A₁	1475	1464	0.43	5.03	0.68	0.81
3	A₁	1081	1073	90.37	3.65	0.30	0.46
4	A₁	509	506	3.44	1.77	0.69	0.82
5	A₂	1221	1213	0.00	8.05	0.75	0.86
6	B₁	3022	3001	49.52	50.76	0.75	0.86
7	B₁	1144	1136	15.12	1.87	0.75	0.86
8	B₂	1404	1394	13.91	2.87	0.75	0.86
9	B₂	1048	1041	232.34	2.32	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.505
H2	-0.919	0.000	1.111
H3	0.919	0.000	1.111
F4	0.000	1.114	-0.292
F5	0.000	-1.114	-0.292

	C1	H2	H3	F4	F5
C1		1.1014	1.1014	1.3690	1.3690
H2	1.1014		1.8387	2.0133	2.0133
H3	1.1014	1.8387		2.0133	2.0133
F4	1.3690	2.0133	2.0133		2.2271
F5	1.3690	2.0133	2.0133	2.2271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
H2	C1	H3	113.165	H2	C1	F4	108.685
H2	C1	F5	108.685	H3	C1	F4	108.685
H3	C1	F5	108.685	F4	C1	F5	108.857

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

using model chemistry: PBEPBEultrafine/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	0.288
2	H	0.033
3	H	0.033
4	F	-0.177
5	F	-0.177

	x	y	z	Total
	0.000	0.000	1.731	1.731
CHELPG
AIM
ESP

<r²>	39.830
(<r²>)^1/2	6.311

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

States and conformations

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