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	hartrees
Energy at 0K	-1395.504261
Energy at 298.15K	-1395.506085
HF Energy	-1395.504261
Nuclear repulsion energy	598.287467

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1266	1213	0.00
2	A_g	1017	974	0.00
3	A_g	663	635	0.00
4	A_g	411	393	0.00
5	A_g	343	329	0.00
6	A_g	244	234	0.00
7	A_u	1200	1150	317.05
8	A_u	350	336	2.04
9	A_u	212	203	3.42
10	A_u	62	59	0.21
11	B_g	1182	1132	0.00
12	B_g	524	502	0.00
13	B_g	303	290	0.00
14	B_u	1118	1071	308.82
15	B_u	798	764	379.61
16	B_u	557	533	19.90
17	B_u	406	389	1.61
18	B_u	160	153	2.14

Atom	x (Å)	y (Å)	z (Å)
C1	-0.241	0.729	0.000
C2	0.241	-0.729	0.000
Cl3	-2.065	0.823	0.000
Cl4	2.065	-0.823	0.000
F5	0.241	1.368	1.120
F6	0.241	1.368	-1.120
F7	-0.241	-1.368	1.120
F8	-0.241	-1.368	-1.120

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5363	1.8261	2.7797	1.3768	1.3768	2.3777	2.3777
C2	1.5363		2.7797	1.8261	2.3777	2.3777	1.3768	1.3768
Cl3	1.8261	2.7797		4.4455	2.6211	2.6211	3.0627	3.0627
Cl4	2.7797	1.8261	4.4455		3.0627	3.0627	2.6211	2.6211
F5	1.3768	2.3777	2.6211	3.0627		2.2407	2.7779	3.5690
F6	1.3768	2.3777	2.6211	3.0627	2.2407		3.5690	2.7779
F7	2.3777	1.3768	3.0627	2.6211	2.7779	3.5690		2.2407
F8	2.3777	1.3768	3.0627	2.6211	3.5690	2.7779	2.2407

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.226	C1	C2	F7	109.294
C1	C2	F8	109.294	C2	C1	Cl3	111.226
C2	C1	F5	109.294	C2	C1	F6	109.294
Cl3	C1	F5	109.031	Cl3	C1	F6	109.031
Cl4	C2	F7	109.031	Cl4	C2	F8	109.031
F5	C1	F6	108.930	F7	C2	F8	108.930

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

using model chemistry: B3PW91/6-31G

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	0.305
2	C	0.305
3	Cl	0.172
4	Cl	0.172
5	F	-0.238
6	F	-0.238
7	F	-0.238
8	F	-0.238

	x	y	z
x	9.359	-0.693	0.000
y	-0.693	4.246	0.000
z	0.000	0.000	4.393

<r²>	325.398
(<r²>)^1/2	18.039

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

using model chemistry: B3PW91/6-31G

States and conformations

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