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	hartrees
Energy at 0K	-90.737167
Energy at 298.15K	-90.740592
HF Energy	-90.737167
Nuclear repulsion energy	135.881359

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3154	3154	0.47
2	A	1424	1424	8.26
3	A	1308	1308	16.00
4	A	1132	1132	199.94
5	A	1075	1075	106.92
6	A	841	841	103.00
7	A	458	458	1.40
8	A	306	306	1.42
9	A	161	161	0.71
10	A	69	69	0.75
11	B	3164	3164	19.78
12	B	1355	1355	6.93
13	B	1246	1246	33.82
14	B	1095	1095	31.90
15	B	833	833	112.42
16	B	429	429	13.84
17	B	385	385	7.77
18	B	330	330	12.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.227	0.737	0.405
C2	0.227	-0.737	0.405
H3	-1.314	0.823	0.364
H4	1.314	-0.823	0.364
F5	0.227	1.311	1.562
F6	-0.227	-1.311	1.562
Cl7	0.468	1.614	-0.991
Cl8	-0.468	-1.614	-0.991

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5424	1.0918	2.1936	1.3685	2.3520	1.7892	2.7450
C2	1.5424		2.1936	1.0918	2.3520	1.3685	2.7450	1.7892
H3	1.0918	2.1936		3.1020	2.0121	2.6782	2.3746	2.9140
H4	2.1936	1.0918	3.1020		2.6782	2.0121	2.9140	2.3746
F5	1.3685	2.3520	2.0121	2.6782		2.6606	2.5821	3.9439
F6	2.3520	1.3685	2.6782	2.0121	2.6606		3.9439	2.5821
Cl7	1.7892	2.7450	2.3746	2.9140	2.5821	3.9439		3.3612
Cl8	2.7450	1.7892	2.9140	2.3746	3.9439	2.5821	3.3612

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.619	C1	C2	F6	107.652
C1	C2	Cl8	110.744	C2	C1	H3	111.619
C2	C1	F5	107.652	C2	C1	Cl7	110.744
H3	C1	F5	109.215	H3	C1	Cl7	108.583
H4	C2	F6	109.215	H4	C2	Cl8	108.583
F5	C1	Cl7	108.982	F6	C2	Cl8	108.982

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	0.084
2	C	0.084
3	H	0.223
4	H	0.223
5	F	-0.226
6	F	-0.226
7	Cl	-0.081
8	Cl	-0.081

	x	y	z	Total
	0.000	0.000	-0.420	0.420
CHELPG
AIM
ESP

	x	y	z
x	5.518	0.695	0.000
y	0.695	6.976	0.000
z	0.000	0.000	7.530

<r²>	152.583
(<r²>)^1/2	12.352