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	hartrees
Energy at 0K	-1379.308283
Energy at 298.15K	-1379.309315
HF Energy	-1379.308283
Nuclear repulsion energy	585.274181

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1277	1128	0.00
2	A_g	989	874	0.00
3	A_g	686	606	0.00
4	A_g	409	361	0.00
5	A_g	316	279	0.00
6	A_g	209	185	0.00
7	A_u	1378	1217	194.07
8	A_u	329	290	7.19
9	A_u	167	147	1.46
10	A_u	25	22	1.43
11	B_g	1412	1247	0.00
12	B_g	497	439	0.00
13	B_g	269	238	0.00
14	B_u	1224	1081	210.79
15	B_u	785	693	303.36
16	B_u	569	502	29.15
17	B_u	395	349	0.56
18	B_u	125	110	4.04

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.795	0.000
C2	0.222	-0.795	0.000
Cl3	-2.123	0.774	0.000
Cl4	2.123	-0.774	0.000
F5	0.222	1.434	1.124
F6	0.222	1.434	-1.124
F7	-0.222	-1.434	1.124
F8	-0.222	-1.434	-1.124

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.6501	1.9009	2.8213	1.3672	1.3672	2.4962	2.4962
C2	1.6501		2.8213	1.9009	2.4962	2.4962	1.3672	1.3672
Cl3	1.9009	2.8213		4.5193	2.6827	2.6827	3.1231	3.1231
Cl4	2.8213	1.9009	4.5193		3.1231	3.1231	2.6827	2.6827
F5	1.3672	2.4962	2.6827	3.1231		2.2472	2.9031	3.6713
F6	1.3672	2.4962	2.6827	3.1231	2.2472		3.6713	2.9031
F7	2.4962	1.3672	3.1231	2.6827	2.9031	3.6713		2.2472
F8	2.4962	1.3672	3.1231	2.6827	3.6713	2.9031	2.2472

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	105.002	C1	C2	F7	111.305
C1	C2	F8	111.305	C2	C1	Cl3	105.002
C2	C1	F5	111.305	C2	C1	F6	111.305
Cl3	C1	F5	109.259	Cl3	C1	F6	109.259
Cl4	C2	F7	109.259	Cl4	C2	F8	109.259
F5	C1	F6	110.538	F7	C2	F8	110.538

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

using model chemistry: B1B95/STO-3G

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	0.265
2	C	0.265
3	Cl	-0.186
4	Cl	-0.186
5	F	-0.039
6	F	-0.039
7	F	-0.039
8	F	-0.039

	x	y	z
x	6.444	-0.251	0.000
y	-0.251	2.401	0.000
z	0.000	0.000	2.470

<r²>	335.935
(<r²>)^1/2	18.329

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

using model chemistry: B1B95/STO-3G

States and conformations

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