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	hartrees
Energy at 0K	-1197.454313
Energy at 298.15K	-1197.457755
HF Energy	-1197.454313
Nuclear repulsion energy	374.343728

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3147	3012	0.00
2	A_g	1394	1334	0.00
3	A_g	1288	1233	0.00
4	A_g	1131	1083	0.00
5	A_g	1076	1030	0.00
6	A_g	826	791	0.00
7	A_g	516	494	0.00
8	A_g	373	357	0.00
9	A_g	269	257	0.00
10	A_u	3157	3022	6.84
11	A_u	1300	1244	9.40
12	A_u	1216	1164	33.95
13	A_u	1118	1070	257.16
14	A_u	779	746	224.66
15	A_u	399	382	2.95
16	A_u	373	357	26.12
17	A_u	171	163	0.79
18	A_u	66	63	0.73

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.017	0.000	-1.172
H4	-1.017	0.000	1.172
F5	-0.671	-1.098	-1.208
F6	0.671	1.098	1.208
Cl7	-0.833	1.463	-1.361
Cl8	0.833	-1.463	1.361

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5289	1.0956	2.1873	1.3613	2.3556	1.7859	2.7114
C2	1.5289		2.1873	1.0956	2.3556	1.3613	2.7114	1.7859
H3	1.0956	2.1873		3.1034	2.0142	2.6442	2.3659	2.9310
H4	2.1873	1.0956	3.1034		2.6442	2.0142	2.9310	2.3659
F5	1.3613	2.3556	2.0142	2.6442		3.5307	2.5707	2.9995
F6	2.3556	1.3613	2.6442	2.0142	3.5307		2.9995	2.5707
Cl7	1.7859	2.7114	2.3659	2.9310	2.5707	2.9995		4.3295
Cl8	2.7114	1.7859	2.9310	2.3659	2.9995	2.5707	4.3295

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.833	C1	C2	F6	109.036
C1	C2	Cl8	109.516	C2	C1	H3	111.833
C2	C1	F5	109.036	C2	C1	Cl7	109.516
H3	C1	F5	109.655	H3	C1	Cl7	107.970
H4	C2	F6	109.655	H4	C2	Cl8	107.970
F5	C1	Cl7	108.780	F6	C2	Cl8	108.780

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

using model chemistry: wB97X-D/aug-cc-pVDZ

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	0.545
2	C	0.545
3	H	-0.091
4	H	-0.091
5	F	-0.405
6	F	-0.405
7	Cl	-0.049
8	Cl	-0.049

	x	y	z
x	7.437	-1.114	0.945
y	-1.114	9.394	-1.422
z	0.945	-1.422	8.143

<r²>	257.433
(<r²>)^1/2	16.045