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	hartrees
Energy at 0K	-90.626846
Energy at 298.15K	-90.629980
HF Energy	-90.626846
Nuclear repulsion energy	131.641694

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3183	3083	0.00
2	A_g	1369	1325	0.00
3	A_g	1278	1237	0.00
4	A_g	1097	1062	0.00
5	A_g	992	960	0.00
6	A_g	764	740	0.00
7	A_g	477	462	0.00
8	A_g	339	328	0.00
9	A_g	248	241	0.00
10	A_u	3195	3094	12.15
11	A_u	1286	1245	11.35
12	A_u	1211	1173	33.67
13	A_u	1021	989	232.31
14	A_u	711	688	212.42
15	A_u	363	352	5.04
16	A_u	350	339	42.39
17	A_u	159	154	1.91
18	A_u	59	57	1.38

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.775
C2	0.000	0.000	0.775
H3	1.008	0.000	-1.209
H4	-1.008	0.000	1.209
F5	-0.706	-1.154	-1.225
F6	0.706	1.154	1.225
Cl7	-0.896	1.512	-1.408
Cl8	0.896	-1.512	1.408

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5500	1.0973	2.2255	1.4251	2.4140	1.8681	2.8027
C2	1.5500		2.2255	1.0973	2.4140	1.4251	2.8027	1.8681
H3	1.0973	2.2255		3.1483	2.0656	2.7103	2.4391	3.0250
H4	2.2255	1.0973	3.1483		2.7103	2.0656	3.0250	2.4391
F5	1.4251	2.4140	2.0656	2.7103		3.6488	2.6788	3.1024
F6	2.4140	1.4251	2.7103	2.0656	3.6488		3.1024	2.6788
Cl7	1.8681	2.8027	2.4391	3.0250	2.6788	3.1024		4.5042
Cl8	2.8027	1.8681	3.0250	2.4391	3.1024	2.6788	4.5042

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.315	C1	C2	F6	108.392
C1	C2	Cl8	109.812	C2	C1	H3	113.315
C2	C1	F5	108.392	C2	C1	Cl7	109.812
H3	C1	F5	109.264	H3	C1	Cl7	107.824
H4	C2	F6	109.264	H4	C2	Cl8	107.824
F5	C1	Cl7	108.112	F6	C2	Cl8	108.112

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

using model chemistry: B3LYP/CEP-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	-0.132
2	C	-0.132
3	H	0.270
4	H	0.270
5	F	-0.167
6	F	-0.167
7	Cl	0.029
8	Cl	0.029

	x	y	z
x	4.606	-2.171	1.408
y	-2.171	8.202	-2.041
z	1.408	-2.041	5.290

<r²>	157.684
(<r²>)^1/2	12.557