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	hartrees
Energy at 0K	-1395.283494
Energy at 298.15K	-1395.285602
HF Energy	-1395.283494
Nuclear repulsion energy	615.312103

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1323	1267	0.00
2	A_g	1061	1016	0.00
3	A_g	721	691	0.00
4	A_g	443	424	0.00
5	A_g	363	347	0.00
6	A_g	251	241	0.00
7	A_u	1271	1218	331.17
8	A_u	374	358	0.76
9	A_u	214	205	1.36
10	A_u	61	59	0.03
11	B_g	1252	1199	0.00
12	B_g	548	525	0.00
13	B_g	320	307	0.00
14	B_u	1191	1140	328.25
15	B_u	841	806	398.94
16	B_u	620	594	12.07
17	B_u	437	419	0.21
18	B_u	164	157	1.07

Atom	x (Å)	y (Å)	z (Å)
C1	-0.233	0.739	0.000
C2	0.233	-0.739	0.000
Cl3	-2.001	0.806	0.000
Cl4	2.001	-0.806	0.000
F5	0.233	1.346	1.079
F6	0.233	1.346	-1.079
F7	-0.233	-1.346	1.079
F8	-0.233	-1.346	-1.079

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5501	1.7700	2.7164	1.3223	1.3223	2.3477	2.3477
C2	1.5501		2.7164	1.7700	2.3477	2.3477	1.3223	1.3223
Cl3	1.7700	2.7164		4.3151	2.5389	2.5389	2.9871	2.9871
Cl4	2.7164	1.7700	4.3151		2.9871	2.9871	2.5389	2.5389
F5	1.3223	2.3477	2.5389	2.9871		2.1580	2.7313	3.4810
F6	1.3223	2.3477	2.5389	2.9871	2.1580		3.4810	2.7313
F7	2.3477	1.3223	2.9871	2.5389	2.7313	3.4810		2.1580
F8	2.3477	1.3223	2.9871	2.5389	3.4810	2.7313	2.1580

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	109.627	C1	C2	F7	109.383
C1	C2	F8	109.383	C2	C1	Cl3	109.627
C2	C1	F5	109.383	C2	C1	F6	109.383
Cl3	C1	F5	109.529	Cl3	C1	F6	109.529
Cl4	C2	F7	109.529	Cl4	C2	F8	109.529
F5	C1	F6	109.376	F7	C2	F8	109.376

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

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	0.239
2	C	0.239
3	Cl	-0.112
4	Cl	-0.112
5	F	-0.064
6	F	-0.064
7	F	-0.064
8	F	-0.064

	x	y	z
x	9.720	-0.830	0.000
y	-0.830	6.169	0.000
z	0.000	0.000	5.821

<r²>	308.876
(<r²>)^1/2	17.575

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

using model chemistry: HSEh1PBE/6-31G(2df,p)

States and conformations

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