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	hartrees
Energy at 0K	-1395.816938
Energy at 298.15K	-1395.819069
HF Energy	-1395.816938
Nuclear repulsion energy	611.125436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1297	1236	0.00
2	A_g	1080	1029	0.00
3	A_g	708	675	0.00
4	A_g	446	425	0.00
5	A_g	358	341	0.00
6	A_g	253	241	0.00
7	A_u	1223	1165	406.04
8	A_u	379	361	0.42
9	A_u	224	213	1.45
10	A_u	61	58	0.22
11	B_g	1212	1155	0.00
12	B_g	545	519	0.00
13	B_g	324	309	0.00
14	B_u	1161	1106	395.25
15	B_u	858	817	393.05
16	B_u	608	579	13.30
17	B_u	439	418	1.06
18	B_u	167	159	1.16

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.747	0.000
C2	0.237	-0.747	0.000
Cl3	-2.004	0.843	0.000
Cl4	2.004	-0.843	0.000
F5	0.237	1.362	1.086
F6	0.237	1.362	-1.086
F7	-0.237	-1.362	1.086
F8	-0.237	-1.362	-1.086

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5680	1.7694	2.7481	1.3350	1.3350	2.3724	2.3724
C2	1.5680		2.7481	1.7694	2.3724	2.3724	1.3350	1.3350
Cl3	1.7694	2.7481		4.3482	2.5441	2.5441	3.0269	3.0269
Cl4	2.7481	1.7694	4.3482		3.0269	3.0269	2.5441	2.5441
F5	1.3350	2.3724	2.5441	3.0269		2.1714	2.7654	3.5160
F6	1.3350	2.3724	2.5441	3.0269	2.1714		3.5160	2.7654
F7	2.3724	1.3350	3.0269	2.5441	2.7654	3.5160		2.1714
F8	2.3724	1.3350	3.0269	2.5441	3.5160	2.7654	2.1714

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.712	C1	C2	F7	109.359
C1	C2	F8	109.359	C2	C1	Cl3	110.712
C2	C1	F5	109.359	C2	C1	F6	109.359
Cl3	C1	F5	109.274	Cl3	C1	F6	109.274
Cl4	C2	F7	109.274	Cl4	C2	F8	109.274
F5	C1	F6	108.833	F7	C2	F8	108.833

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: wB97X-D/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	0.199
2	C	0.199
3	Cl	0.200
4	Cl	0.200
5	F	-0.199
6	F	-0.199
7	F	-0.199
8	F	-0.199

	x	y	z
x	9.877	-0.735	0.000
y	-0.735	6.509	0.000
z	0.000	0.000	6.299

<r²>	313.828
(<r²>)^1/2	17.715

All results from a given calculation for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: wB97X-D/cc-pVDZ

States and conformations

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)