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	hartrees
Energy at 0K	-1395.320079
Energy at 298.15K	-1395.322178
HF Energy	-1395.320079
Nuclear repulsion energy	612.694762

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1318	1268	0.00
2	A_g	1060	1019	0.00
3	A_g	711	684	0.00
4	A_g	442	425	0.00
5	A_g	359	345	0.00
6	A_g	253	244	0.00
7	A_u	1252	1205	427.78
8	A_u	375	361	0.80
9	A_u	214	206	2.01
10	A_u	57	54	0.11
11	B_g	1236	1189	0.00
12	B_g	543	523	0.00
13	B_g	321	309	0.00
14	B_u	1173	1128	400.59
15	B_u	843	811	410.79
16	B_u	613	589	12.38
17	B_u	436	419	0.32
18	B_u	166	160	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.738	0.000
C2	0.236	-0.738	0.000
Cl3	-2.006	0.815	0.000
Cl4	2.006	-0.815	0.000
F5	0.236	1.353	1.084
F6	0.236	1.353	-1.084
F7	-0.236	-1.353	1.084
F8	-0.236	-1.353	-1.084

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5499	1.7715	2.7270	1.3328	1.3328	2.3554	2.3554
C2	1.5499		2.7270	1.7715	2.3554	2.3554	1.3328	1.3328
Cl3	1.7715	2.7270		4.3298	2.5478	2.5478	3.0010	3.0010
Cl4	2.7270	1.7715	4.3298		3.0010	3.0010	2.5478	2.5478
F5	1.3328	2.3554	2.5478	3.0010		2.1687	2.7465	3.4995
F6	1.3328	2.3554	2.5478	3.0010	2.1687		3.4995	2.7465
F7	2.3554	1.3328	3.0010	2.5478	2.7465	3.4995		2.1687
F8	2.3554	1.3328	3.0010	2.5478	3.4995	2.7465	2.1687

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.201	C1	C2	F7	109.358
C1	C2	F8	109.358	C2	C1	Cl3	110.201
C2	C1	F5	109.358	C2	C1	F6	109.358
Cl3	C1	F5	109.503	Cl3	C1	F6	109.503
Cl4	C2	F7	109.503	Cl4	C2	F8	109.503
F5	C1	F6	108.896	F7	C2	F8	108.896

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

using model chemistry: HSEh1PBE/cc-pVDZ

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	0.287
2	C	0.287
3	Cl	-0.024
4	Cl	-0.024
5	F	-0.132
6	F	-0.132
7	F	-0.132
8	F	-0.132

	x	y	z
x	8.849	-0.680	0.000
y	-0.680	4.854	0.000
z	0.000	0.000	4.580

<r²>	311.450
(<r²>)^1/2	17.648

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

using model chemistry: HSEh1PBE/cc-pVDZ

States and conformations

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