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	hartrees
Energy at 0K	-1395.979509
Energy at 298.15K	-1395.981504
HF Energy	-1395.979509
Nuclear repulsion energy	607.665735

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1259	1214	0.00
2	A_g	1040	1003	0.00
3	A_g	692	668	0.00
4	A_g	431	416	0.00
5	A_g	351	338	0.00
6	A_g	248	239	0.00
7	A_u	1179	1137	398.12
8	A_u	370	357	0.32
9	A_u	220	212	1.43
10	A_u	62	59	0.26
11	B_g	1168	1126	0.00
12	B_g	534	515	0.00
13	B_g	317	306	0.00
14	B_u	1125	1085	375.98
15	B_u	829	800	399.98
16	B_u	594	573	11.86
17	B_u	427	411	0.43
18	B_u	164	159	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.743	0.000
C2	0.242	-0.743	0.000
Cl3	-2.016	0.844	0.000
Cl4	2.016	-0.844	0.000
F5	0.242	1.364	1.092
F6	0.242	1.364	-1.092
F7	-0.242	-1.364	1.092
F8	-0.242	-1.364	-1.092

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5636	1.7766	2.7604	1.3464	1.3464	2.3737	2.3737
C2	1.5636		2.7604	1.7766	2.3737	2.3737	1.3464	1.3464
Cl3	1.7766	2.7604		4.3712	2.5617	2.5617	3.0359	3.0359
Cl4	2.7604	1.7766	4.3712		3.0359	3.0359	2.5617	2.5617
F5	1.3464	2.3737	2.5617	3.0359		2.1844	2.7709	3.5284
F6	1.3464	2.3737	2.5617	3.0359	2.1844		3.5284	2.7709
F7	2.3737	1.3464	3.0359	2.5617	2.7709	3.5284		2.1844
F8	2.3737	1.3464	3.0359	2.5617	3.5284	2.7709	2.1844

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.306	C1	C2	F7	109.081
C1	C2	F8	109.081	C2	C1	Cl3	111.306
C2	C1	F5	109.081	C2	C1	F6	109.081
Cl3	C1	F5	109.449	Cl3	C1	F6	109.449
Cl4	C2	F7	109.449	Cl4	C2	F8	109.449
F5	C1	F6	108.422	F7	C2	F8	108.422

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

using model chemistry: B3LYP/6-31+G**

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	0.251
2	C	0.251
3	Cl	0.169
4	Cl	0.169
5	F	-0.210
6	F	-0.210
7	F	-0.210
8	F	-0.210

	x	y	z
x	10.275	-0.792	0.000
y	-0.792	6.741	0.000
z	0.000	0.000	6.510

<r²>	317.295
(<r²>)^1/2	17.813

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

using model chemistry: B3LYP/6-31+G**

States and conformations

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