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	hartrees
Energy at 0K	-90.631811
Energy at 298.15K	-90.635111
HF Energy	-90.631811
Nuclear repulsion energy	132.980875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3162	3162	0.18
2	A	1403	1403	2.94
3	A	1290	1290	11.03
4	A	1122	1122	45.33
5	A	1028	1028	199.18
6	A	806	806	86.30
7	A	435	435	1.11
8	A	294	294	1.81
9	A	159	159	1.32
10	A	58	58	1.16
11	B	3173	3173	10.81
12	B	1323	1323	5.19
13	B	1245	1245	26.12
14	B	1024	1024	24.63
15	B	794	794	104.08
16	B	404	404	19.69
17	B	364	364	12.03
18	B	320	320	18.62

Atom	x (Å)	y (Å)	z (Å)
C1	-0.244	0.730	0.418
C2	0.244	-0.730	0.418
H3	-1.329	0.814	0.399
H4	1.329	-0.814	0.399
F5	0.244	1.338	1.602
F6	-0.244	-1.338	1.602
Cl7	0.439	1.655	-1.019
Cl8	-0.439	-1.655	-1.019

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5390	1.0890	2.2040	1.4178	2.3831	1.8405	2.7912
C2	1.5390		2.2040	1.0890	2.3831	1.4178	2.7912	1.8405
H3	1.0890	2.2040		3.1172	2.0488	2.6936	2.4183	2.9828
H4	2.2040	1.0890	3.1172		2.6936	2.0488	2.9828	2.4183
F5	1.4178	2.3831	2.0488	2.6936		2.7201	2.6479	4.0369
F6	2.3831	1.4178	2.6936	2.0488	2.7201		4.0369	2.6479
Cl7	1.8405	2.7912	2.4183	2.9828	2.6479	4.0369		3.4242
Cl8	2.7912	1.8405	2.9828	2.4183	4.0369	2.6479	3.4242

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.872	C1	C2	F6	107.330
C1	C2	Cl8	111.044	C2	C1	H3	112.872
C2	C1	F5	107.330	C2	C1	Cl7	111.044
H3	C1	F5	108.918	H3	C1	Cl7	108.536
H4	C2	F6	108.918	H4	C2	Cl8	108.536
F5	C1	Cl7	108.009	F6	C2	Cl8	108.009

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

using model chemistry: wB97X-D/CEP-121G

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	-0.155
2	C	-0.155
3	H	0.251
4	H	0.251
5	F	-0.185
6	F	-0.185
7	Cl	0.089
8	Cl	0.089

	x	y	z	Total
	0.000	0.000	-0.810	0.810
CHELPG
AIM
ESP

	x	y	z
x	4.707	0.908	0.000
y	0.908	6.311	0.000
z	0.000	0.000	7.549

<r²>	159.052
(<r²>)^1/2	12.612