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	hartrees
Energy at 0K	-1395.562155
Energy at 298.15K	-1395.564133
HF Energy	-1395.562155
Nuclear repulsion energy	602.344428

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1320	1320	0.00
2	A_g	1080	1080	0.00
3	A_g	685	685	0.00
4	A_g	429	429	0.00
5	A_g	353	353	0.00
6	A_g	248	248	0.00
7	A_u	1266	1266	302.09
8	A_u	356	356	2.23
9	A_u	221	221	3.83
10	A_u	69	69	0.26
11	B_g	1254	1254	0.00
12	B_g	540	540	0.00
13	B_g	310	310	0.00
14	B_u	1176	1176	310.35
15	B_u	833	833	344.23
16	B_u	572	572	22.72
17	B_u	419	419	5.70
18	B_u	158	158	2.11

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.725	0.000
C2	0.242	-0.725	0.000
Cl3	-2.051	0.811	0.000
Cl4	2.051	-0.811	0.000
F5	0.242	1.356	1.115
F6	0.242	1.356	-1.115
F7	-0.242	-1.356	1.115
F8	-0.242	-1.356	-1.115

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5288	1.8103	2.7599	1.3702	1.3702	2.3612	2.3612
C2	1.5288		2.7599	1.8103	2.3612	2.3612	1.3702	1.3702
Cl3	1.8103	2.7599		4.4104	2.6076	2.6076	3.0348	3.0348
Cl4	2.7599	1.8103	4.4104		3.0348	3.0348	2.6076	2.6076
F5	1.3702	2.3612	2.6076	3.0348		2.2303	2.7558	3.5452
F6	1.3702	2.3612	2.6076	3.0348	2.2303		3.5452	2.7558
F7	2.3612	1.3702	3.0348	2.6076	2.7558	3.5452		2.2303
F8	2.3612	1.3702	3.0348	2.6076	3.5452	2.7558	2.2303

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.213	C1	C2	F7	108.954
C1	C2	F8	108.954	C2	C1	Cl3	111.213
C2	C1	F5	108.954	C2	C1	F6	108.954
Cl3	C1	F5	109.368	Cl3	C1	F6	109.368
Cl4	C2	F7	109.368	Cl4	C2	F8	109.368
F5	C1	F6	108.948	F7	C2	F8	108.948

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

using model chemistry: M06-2X/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	0.330
2	C	0.330
3	Cl	0.190
4	Cl	0.190
5	F	-0.260
6	F	-0.260
7	F	-0.260
8	F	-0.260

	x	y	z
x	9.060	-0.610	0.000
y	-0.610	4.059	0.000
z	0.000	0.000	4.273

<r²>	321.397
(<r²>)^1/2	17.928

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

using model chemistry: M06-2X/6-31G

States and conformations

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