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	hartrees
Energy at 0K	-1396.198286
Energy at 298.15K	-1396.200326
HF Energy	-1396.198286
Nuclear repulsion energy	607.705829

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1248	1205	0.00
2	A_g	1025	990	0.00
3	A_g	700	676	0.00
4	A_g	428	413	0.00
5	A_g	356	343	0.00
6	A_g	246	238	0.00
7	A_u	1180	1139	412.34
8	A_u	372	359	0.42
9	A_u	226	218	1.90
10	A_u	63	60	0.22
11	B_g	1172	1132	0.00
12	B_g	538	520	0.00
13	B_g	319	308	0.00
14	B_u	1127	1088	376.35
15	B_u	818	790	415.08
16	B_u	607	586	11.13
17	B_u	428	413	0.11
18	B_u	165	159	1.29

Atom	x (Å)	y (Å)	z (Å)
C1	-0.238	0.746	0.000
C2	0.238	-0.746	0.000
Cl3	-2.026	0.835	0.000
Cl4	2.026	-0.835	0.000
F5	0.238	1.363	1.088
F6	0.238	1.363	-1.088
F7	-0.238	-1.363	1.088
F8	-0.238	-1.363	-1.088

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5656	1.7901	2.7613	1.3381	1.3381	2.3726	2.3726
C2	1.5656		2.7613	1.7901	2.3726	2.3726	1.3381	1.3381
Cl3	1.7901	2.7613		4.3826	2.5666	2.5666	3.0349	3.0349
Cl4	2.7613	1.7901	4.3826		3.0349	3.0349	2.5666	2.5666
F5	1.3381	2.3726	2.5666	3.0349		2.1750	2.7672	3.5197
F6	1.3381	2.3726	2.5666	3.0349	2.1750		3.5197	2.7672
F7	2.3726	1.3381	3.0349	2.5666	2.7672	3.5197		2.1750
F8	2.3726	1.3381	3.0349	2.5666	3.5197	2.7672	2.1750

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.572	C1	C2	F7	109.340
C1	C2	F8	109.340	C2	C1	Cl3	110.572
C2	C1	F5	109.340	C2	C1	F6	109.340
Cl3	C1	F5	109.416	Cl3	C1	F6	109.416
Cl4	C2	F7	109.416	Cl4	C2	F8	109.416
F5	C1	F6	108.727	F7	C2	F8	108.727

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

using model chemistry: B3LYP/TZVP

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	0.250
2	C	0.250
3	Cl	-0.011
4	Cl	-0.011
5	F	-0.119
6	F	-0.119
7	F	-0.119
8	F	-0.119

	x	y	z
x	9.787	-0.693	0.000
y	-0.693	5.925	0.000
z	0.000	0.000	5.692

<r²>	317.573
(<r²>)^1/2	17.821

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

using model chemistry: B3LYP/TZVP

States and conformations

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