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	hartrees
Energy at 0K	-1196.785254
Energy at 298.15K	-1196.788531
HF Energy	-1196.785254
Nuclear repulsion energy	372.171578

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3052	3008	0.00
2	A_g	1369	1349	0.00
3	A_g	1282	1263	0.00
4	A_g	1101	1085	0.00
5	A_g	1055	1040	0.00
6	A_g	781	770	0.00
7	A_g	502	495	0.00
8	A_g	355	350	0.00
9	A_g	260	256	0.00
10	A_u	3063	3020	17.54
11	A_u	1295	1277	25.52
12	A_u	1203	1186	38.12
13	A_u	1120	1104	237.52
14	A_u	727	717	245.89
15	A_u	383	378	1.83
16	A_u	356	350	27.45
17	A_u	166	163	1.45
18	A_u	73	72	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.768
C2	0.000	0.000	0.768
H3	1.026	0.000	-1.168
H4	-1.026	0.000	1.168
F5	-0.691	-1.086	-1.219
F6	0.691	1.086	1.219
Cl7	-0.807	1.507	-1.348
Cl8	0.807	-1.507	1.348

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5357	1.1016	2.1913	1.3640	2.3676	1.8053	2.7203
C2	1.5357		2.1913	1.1016	2.3676	1.3640	2.7203	1.8053
H3	1.1016	2.1913		3.1100	2.0323	2.6444	2.3798	2.9415
H4	2.1913	1.1016	3.1100		2.6444	2.0323	2.9415	2.3798
F5	1.3640	2.3676	2.0323	2.6444		3.5460	2.5991	3.0020
F6	2.3676	1.3640	2.6444	2.0323	3.5460		3.0020	2.5991
Cl7	1.8053	2.7203	2.3798	2.9415	2.5991	3.0020		4.3543
Cl8	2.7203	1.8053	2.9415	2.3798	3.0020	2.5991	4.3543

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.317	C1	C2	F6	109.328
C1	C2	Cl8	108.751	C2	C1	H3	111.317
C2	C1	F5	109.328	C2	C1	Cl7	108.751
H3	C1	F5	110.574	H3	C1	Cl7	107.422
H4	C2	F6	110.574	H4	C2	Cl8	107.422
F5	C1	Cl7	109.396	F6	C2	Cl8	109.396

All results from a given calculation for CHFClCHClF (ethane, 1,2-dichloro-1,2-difluoro-)

using model chemistry: PBEPBE/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	0.008
2	C	0.008
3	H	0.220
4	H	0.220
5	F	-0.212
6	F	-0.212
7	Cl	-0.016
8	Cl	-0.016

	x	y	z
x	5.472	-1.512	0.972
y	-1.512	8.054	-1.803
z	0.972	-1.803	6.152

<r²>	259.403
(<r²>)^1/2	16.106