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	hartrees
Energy at 0K	-1158.183545
Energy at 298.15K	-1158.184900
HF Energy	-1158.183545
Nuclear repulsion energy	303.665825

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	1144	1096	346.43	0.90	0.68	0.81
2	A₁	675	647	15.63	5.12	0.00	0.00
3	A₁	459	440	0.36	7.41	0.21	0.35
4	A₁	264	253	0.00	3.79	0.65	0.79
5	A₂	324	310	0.00	1.75	0.75	0.86
6	B₁	903	865	447.00	1.76	0.75	0.86
7	B₁	438	420	0.33	3.80	0.75	0.86
8	B₂	1232	1181	258.81	0.23	0.75	0.86
9	B₂	438	420	0.81	2.23	0.75	0.86

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	0.344
F2	0.000	1.076	1.121
F3	0.000	-1.076	1.121
Cl4	1.464	0.000	-0.654
Cl5	-1.464	0.000	-0.654

	C1	F2	F3	Cl4	Cl5
C1		1.3276	1.3276	1.7712	1.7712
F2	1.3276		2.1520	2.5400	2.5400
F3	1.3276	2.1520		2.5400	2.5400
Cl4	1.7712	2.5400	2.5400		2.9270
Cl5	1.7712	2.5400	2.5400	2.9270

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
F2	C1	F3	108.288	F2	C1	Cl4	109.265
F2	C1	Cl5	109.265	F3	C1	Cl4	109.265
F3	C1	Cl5	109.265	Cl4	C1	Cl5	111.435

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)

using model chemistry: mPW1PW91/cc-pVDZ

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	0.274
2	F	-0.119
3	F	-0.119
4	Cl	-0.018
5	Cl	-0.018

	x	y	z	Total
	0.000	0.000	-0.206	0.206
CHELPG
AIM
ESP

<r²>	156.377
(<r²>)^1/2	12.505

All results from a given calculation for CF2Cl2 (difluorodichloromethane)

using model chemistry: mPW1PW91/cc-pVDZ

States and conformations

All results from a given calculation for CF₂Cl₂ (difluorodichloromethane)