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	hartrees
Energy at 0K	-1395.934853
Energy at 298.15K	-1395.936947
HF Energy	-1395.934853
Nuclear repulsion energy	612.369611

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1280	1231	0.00
2	A_g	1039	999	0.00
3	A_g	709	682	0.00
4	A_g	436	420	0.00
5	A_g	358	344	0.00
6	A_g	248	239	0.00
7	A_u	1215	1168	379.33
8	A_u	374	359	0.45
9	A_u	221	213	1.34
10	A_u	66	63	0.12
11	B_g	1201	1155	0.00
12	B_g	543	522	0.00
13	B_g	320	308	0.00
14	B_u	1152	1108	357.19
15	B_u	832	800	403.71
16	B_u	612	588	10.55
17	B_u	433	416	0.11
18	B_u	164	158	0.91

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.742	0.000
C2	0.236	-0.742	0.000
Cl3	-2.005	0.820	0.000
Cl4	2.005	-0.820	0.000
F5	0.236	1.356	1.083
F6	0.236	1.356	-1.083
F7	-0.236	-1.356	1.083
F8	-0.236	-1.356	-1.083

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5568	1.7709	2.7317	1.3316	1.3316	2.3610	2.3610
C2	1.5568		2.7317	1.7709	2.3610	2.3610	1.3316	1.3316
Cl3	1.7709	2.7317		4.3327	2.5462	2.5462	3.0065	3.0065
Cl4	2.7317	1.7709	4.3327		3.0065	3.0065	2.5462	2.5462
F5	1.3316	2.3610	2.5462	3.0065		2.1660	2.7531	3.5030
F6	1.3316	2.3610	2.5462	3.0065	2.1660		3.5030	2.7531
F7	2.3610	1.3316	3.0065	2.5462	2.7531	3.5030		2.1660
F8	2.3610	1.3316	3.0065	2.5462	3.5030	2.7531	2.1660

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.183	C1	C2	F7	109.403
C1	C2	F8	109.403	C2	C1	Cl3	110.183
C2	C1	F5	109.403	C2	C1	F6	109.403
Cl3	C1	F5	109.494	Cl3	C1	F6	109.494
Cl4	C2	F7	109.494	Cl4	C2	F8	109.494
F5	C1	F6	108.842	F7	C2	F8	108.842

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

using model chemistry: B3PW91/cc-pVTZ

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	0.351
2	C	0.351
3	Cl	-0.090
4	Cl	-0.090
5	F	-0.131
6	F	-0.131
7	F	-0.131
8	F	-0.131

	x	y	z
x	9.886	-0.775	0.000
y	-0.775	6.252	0.000
z	0.000	0.000	5.829

<r²>	312.009
(<r²>)^1/2	17.664

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

using model chemistry: B3PW91/cc-pVTZ

States and conformations

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