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	hartrees
Energy at 0K	-1196.977048
Energy at 298.15K	-1196.980325
HF Energy	-1196.977048
Nuclear repulsion energy	373.070042

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3027	3006	0.00
2	A_g	1339	1330	0.00
3	A_g	1242	1234	0.00
4	A_g	1076	1069	0.00
5	A_g	1032	1025	0.00
6	A_g	773	767	0.00
7	A_g	499	496	0.00
8	A_g	354	351	0.00
9	A_g	257	255	0.00
10	A_u	3040	3019	11.08
11	A_u	1267	1258	7.67
12	A_u	1173	1165	31.43
13	A_u	1080	1072	244.55
14	A_u	726	721	232.75
15	A_u	383	381	1.44
16	A_u	354	352	24.00
17	A_u	165	163	0.79
18	A_u	66	66	0.61

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	1.020	0.000	-1.169
H4	-1.020	0.000	1.169
F5	-0.682	-1.093	-1.220
F6	0.682	1.093	1.220
Cl7	-0.814	1.491	-1.349
Cl8	0.814	-1.491	1.349

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5310	1.0975	2.1875	1.3660	2.3668	1.7959	2.7120
C2	1.5310		2.1875	1.0975	2.3668	1.3660	2.7120	1.7959
H3	1.0975	2.1875		3.1041	2.0236	2.6493	2.3706	2.9337
H4	2.1875	1.0975	3.1041		2.6493	2.0236	2.9337	2.3706
F5	1.3660	2.3668	2.0236	2.6493		3.5485	2.5902	2.9992
F6	2.3668	1.3660	2.6493	2.0236	3.5485		2.9992	2.5902
Cl7	1.7959	2.7120	2.3706	2.9337	2.5902	2.9992		4.3378
Cl8	2.7120	1.7959	2.9337	2.3706	2.9992	2.5902	4.3378

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.597	C1	C2	F6	109.439
C1	C2	Cl8	108.953	C2	C1	H3	111.597
C2	C1	F5	109.439	C2	C1	Cl7	108.953
H3	C1	F5	109.979	H3	C1	Cl7	107.568
H4	C2	F6	109.979	H4	C2	Cl8	107.568
F5	C1	Cl7	109.255	F6	C2	Cl8	109.255

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

using model chemistry: PBEPBEultrafine/cc-pVTZ

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	0.160
2	C	0.160
3	H	0.097
4	H	0.097
5	F	-0.144
6	F	-0.144
7	Cl	-0.113
8	Cl	-0.113

	x	y	z
x	6.460	-1.427	0.974
y	-1.427	8.977	-1.725
z	0.974	-1.725	7.383

<r²>	258.398
(<r²>)^1/2	16.075