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	hartrees
Energy at 0K	-1196.847292
Energy at 298.15K	-1196.850553
HF Energy	-1196.847292
Nuclear repulsion energy	371.783999

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3026	3009	0.00
2	A_g	1334	1326	0.00
3	A_g	1225	1218	0.00
4	A_g	1087	1080	0.00
5	A_g	1038	1032	0.00
6	A_g	771	766	0.00
7	A_g	498	495	0.00
8	A_g	353	351	0.00
9	A_g	258	256	0.00
10	A_u	3037	3020	15.05
11	A_u	1251	1244	15.21
12	A_u	1153	1147	34.94
13	A_u	1097	1090	260.88
14	A_u	724	720	236.25
15	A_u	382	380	1.47
16	A_u	350	348	25.24
17	A_u	164	163	1.19
18	A_u	67	67	0.64

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.767
C2	0.000	0.000	0.767
H3	1.033	0.000	-1.171
H4	-1.033	0.000	1.171
F5	-0.689	-1.088	-1.224
F6	0.689	1.088	1.224
Cl7	-0.805	1.507	-1.350
Cl8	0.805	-1.507	1.350

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5347	1.1085	2.1958	1.3667	2.3719	1.8055	2.7211
C2	1.5347		2.1958	1.1085	2.3719	1.3667	2.7211	1.8055
H3	1.1085	2.1958		3.1218	2.0373	2.6530	2.3834	2.9460
H4	2.1958	1.1085	3.1218		2.6530	2.0373	2.9460	2.3834
F5	1.3667	2.3719	2.0373	2.6530		3.5543	2.6013	3.0061
F6	2.3719	1.3667	2.6530	2.0373	3.5543		3.0061	2.6013
Cl7	1.8055	2.7211	2.3834	2.9460	2.6013	3.0061		4.3559
Cl8	2.7211	1.8055	2.9460	2.3834	3.0061	2.6013	4.3559

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.330	C1	C2	F6	109.539
C1	C2	Cl8	108.841	C2	C1	H3	111.330
C2	C1	F5	109.539	C2	C1	Cl7	108.841
H3	C1	F5	110.354	H3	C1	Cl7	107.326
H4	C2	F6	110.354	H4	C2	Cl8	107.326
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/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	0.121
2	C	0.121
3	H	0.087
4	H	0.087
5	F	-0.139
6	F	-0.139
7	Cl	-0.069
8	Cl	-0.069

	x	y	z
x	5.380	-1.503	0.886
y	-1.503	7.990	-1.765
z	0.886	-1.765	6.135

<r²>	259.761
(<r²>)^1/2	16.117