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	hartrees
Energy at 0K	-1395.668723
Energy at 298.15K	-1395.670754
HF Energy	-1395.668723
Nuclear repulsion energy	611.278886

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1306	1250	0.00
2	A_g	1065	1019	0.00
3	A_g	708	677	0.00
4	A_g	435	416	0.00
5	A_g	355	340	0.00
6	A_g	252	241	0.00
7	A_u	1260	1205	379.72
8	A_u	373	357	0.93
9	A_u	214	205	1.72
10	A_u	61	58	0.06
11	B_g	1249	1195	0.00
12	B_g	544	521	0.00
13	B_g	321	307	0.00
14	B_u	1177	1126	361.44
15	B_u	838	802	417.32
16	B_u	605	579	13.93
17	B_u	431	412	0.11
18	B_u	166	159	1.35

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.740	0.000
C2	0.236	-0.740	0.000
Cl3	-2.011	0.824	0.000
Cl4	2.011	-0.824	0.000
F5	0.236	1.353	1.088
F6	0.236	1.353	-1.088
F7	-0.236	-1.353	1.088
F8	-0.236	-1.353	-1.088

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5544	1.7761	2.7377	1.3349	1.3349	2.3589	2.3589
C2	1.5544		2.7377	1.7761	2.3589	2.3589	1.3349	1.3349
Cl3	1.7761	2.7377		4.3454	2.5518	2.5518	3.0113	3.0113
Cl4	2.7377	1.7761	4.3454		3.0113	3.0113	2.5518	2.5518
F5	1.3349	2.3589	2.5518	3.0113		2.1759	2.7463	3.5039
F6	1.3349	2.3589	2.5518	3.0113	2.1759		3.5039	2.7463
F7	2.3589	1.3349	3.0113	2.5518	2.7463	3.5039		2.1759
F8	2.3589	1.3349	3.0113	2.5518	3.5039	2.7463	2.1759

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.397	C1	C2	F7	109.223
C1	C2	F8	109.223	C2	C1	Cl3	110.397
C2	C1	F5	109.223	C2	C1	F6	109.223
Cl3	C1	F5	109.403	Cl3	C1	F6	109.403
Cl4	C2	F7	109.403	Cl4	C2	F8	109.403
F5	C1	F6	109.173	F7	C2	F8	109.173

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

using model chemistry: B3PW91/6-31G*

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	0.409
2	C	0.409
3	Cl	0.032
4	Cl	0.032
5	F	-0.221
6	F	-0.221
7	F	-0.221
8	F	-0.221

	x	y	z
x	9.197	-0.794	0.000
y	-0.794	5.123	0.000
z	0.000	0.000	4.864

<r²>	312.727
(<r²>)^1/2	17.684

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

using model chemistry: B3PW91/6-31G*

States and conformations

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