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	hartrees
Energy at 0K	-1197.001283
Energy at 298.15K	-1197.004771
HF Energy	-1197.001283
Nuclear repulsion energy	376.502525

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3140	3013	0.00
2	A_g	1412	1355	0.00
3	A_g	1322	1269	0.00
4	A_g	1144	1098	0.00
5	A_g	1096	1052	0.00
6	A_g	834	800	0.00
7	A_g	525	504	0.00
8	A_g	378	363	0.00
9	A_g	272	261	0.00
10	A_u	3152	3024	12.56
11	A_u	1333	1279	23.07
12	A_u	1241	1191	38.72
13	A_u	1151	1105	279.90
14	A_u	782	750	245.42
15	A_u	409	392	2.64
16	A_u	370	355	29.93
17	A_u	173	166	1.46
18	A_u	72	69	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.017	0.000	-1.155
H4	-1.017	0.000	1.155
F5	-0.668	-1.087	-1.205
F6	0.668	1.087	1.205
Cl7	-0.812	1.465	-1.352
Cl8	0.812	-1.465	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5225	1.0904	2.1694	1.3510	2.3441	1.7760	2.6964
C2	1.5225		2.1694	1.0904	2.3441	1.3510	2.6964	1.7760
H3	1.0904	2.1694		3.0777	2.0056	2.6220	2.3515	2.9107
H4	2.1694	1.0904	3.0777		2.6220	2.0056	2.9107	2.3515
F5	1.3510	2.3441	2.0056	2.6220		3.5103	2.5603	2.9785
F6	2.3441	1.3510	2.6220	2.0056	3.5103		2.9785	2.5603
Cl7	1.7760	2.6964	2.3515	2.9107	2.5603	2.9785		4.3048
Cl8	2.6964	1.7760	2.9107	2.3515	2.9785	2.5603	4.3048

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.172	C1	C2	F6	109.183
C1	C2	Cl8	109.424	C2	C1	H3	111.172
C2	C1	F5	109.183	C2	C1	Cl7	109.424
H3	C1	F5	110.013	H3	C1	Cl7	107.842
H4	C2	F6	110.013	H4	C2	Cl8	107.842
F5	C1	Cl7	109.173	F6	C2	Cl8	109.173

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

using model chemistry: PBE1PBE/6-311G**

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	0.034
2	C	0.034
3	H	0.202
4	H	0.202
5	F	-0.196
6	F	-0.196
7	Cl	-0.041
8	Cl	-0.041

	x	y	z
x	5.294	-1.620	0.946
y	-1.620	7.850	-1.795
z	0.946	-1.795	6.010

<r²>	254.977
(<r²>)^1/2	15.968