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	hartrees
Energy at 0K	-1395.434295
Energy at 298.15K	-1395.436426
HF Energy	-1395.434295
Nuclear repulsion energy	613.424537

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1301	1248	0.00
2	A_g	1064	1021	0.00
3	A_g	716	687	0.00
4	A_g	445	427	0.00
5	A_g	361	347	0.00
6	A_g	255	244	0.00
7	A_u	1234	1184	432.29
8	A_u	381	366	0.60
9	A_u	222	213	2.07
10	A_u	62	59	0.16
11	B_g	1221	1171	0.00
12	B_g	548	526	0.00
13	B_g	328	315	0.00
14	B_u	1165	1118	409.91
15	B_u	847	813	437.31
16	B_u	616	591	13.76
17	B_u	440	422	0.26
18	B_u	169	162	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.739	0.000
C2	0.237	-0.739	0.000
Cl3	-2.001	0.825	0.000
Cl4	2.001	-0.825	0.000
F5	0.237	1.351	1.082
F6	0.237	1.351	-1.082
F7	-0.237	-1.351	1.082
F8	-0.237	-1.351	-1.082

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5521	1.7659	2.7302	1.3307	1.3307	2.3536	2.3536
C2	1.5521		2.7302	1.7659	2.3536	2.3536	1.3307	1.3307
Cl3	1.7659	2.7302		4.3286	2.5407	2.5407	3.0031	3.0031
Cl4	2.7302	1.7659	4.3286		3.0031	3.0031	2.5407	2.5407
F5	1.3307	2.3536	2.5407	3.0031		2.1649	2.7431	3.4945
F6	1.3307	2.3536	2.5407	3.0031	2.1649		3.4945	2.7431
F7	2.3536	1.3307	3.0031	2.5407	2.7431	3.4945		2.1649
F8	2.3536	1.3307	3.0031	2.5407	3.4945	2.7431	2.1649

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.581	C1	C2	F7	109.219
C1	C2	F8	109.219	C2	C1	Cl3	110.581
C2	C1	F5	109.219	C2	C1	F6	109.219
Cl3	C1	F5	109.464	Cl3	C1	F6	109.464
Cl4	C2	F7	109.464	Cl4	C2	F8	109.464
F5	C1	F6	108.866	F7	C2	F8	108.866

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

using model chemistry: HSEh1PBE/6-311G*

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	0.316
2	C	0.316
3	Cl	0.006
4	Cl	0.006
5	F	-0.161
6	F	-0.161
7	F	-0.161
8	F	-0.161

	x	y	z
x	9.362	-0.778	0.000
y	-0.778	4.989	0.000
z	0.000	0.000	4.606

<r²>	311.624
(<r²>)^1/2	17.653

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

using model chemistry: HSEh1PBE/6-311G*

States and conformations

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