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	hartrees
Energy at 0K	-1197.423294
Energy at 298.15K	-1197.426745
HF Energy	-1197.423294
Nuclear repulsion energy	374.811606

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3137	2988	0.00
2	A_g	1405	1338	0.00
3	A_g	1291	1230	0.00
4	A_g	1146	1092	0.00
5	A_g	1092	1040	0.00
6	A_g	827	788	0.00
7	A_g	520	496	0.00
8	A_g	375	357	0.00
9	A_g	270	257	0.00
10	A_u	3147	2998	11.09
11	A_u	1311	1249	20.68
12	A_u	1216	1158	40.25
13	A_u	1155	1100	283.62
14	A_u	778	741	228.51
15	A_u	403	383	2.61
16	A_u	370	352	28.55
17	A_u	172	164	1.40
18	A_u	67	63	0.77

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.764
C2	0.000	0.000	0.764
H3	1.024	0.000	-1.162
H4	-1.024	0.000	1.162
F5	-0.675	-1.083	-1.212
F6	0.675	1.083	1.212
Cl7	-0.809	1.482	-1.353
Cl8	0.809	-1.482	1.353

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5285	1.0984	2.1815	1.3526	2.3527	1.7881	2.7081
C2	1.5285		2.1815	1.0984	2.3527	1.3526	2.7081	1.7881
H3	1.0984	2.1815		3.0976	2.0152	2.6330	2.3647	2.9272
H4	2.1815	1.0984	3.0976		2.6330	2.0152	2.9272	2.3647
F5	1.3526	2.3527	2.0152	2.6330		3.5204	2.5729	2.9900
F6	2.3527	1.3526	2.6330	2.0152	3.5204		2.9900	2.5729
Cl7	1.7881	2.7081	2.3647	2.9272	2.5729	2.9900		4.3274
Cl8	2.7081	1.7881	2.9272	2.3647	2.9900	2.5729	4.3274

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.236	C1	C2	F6	109.337
C1	C2	Cl8	109.227	C2	C1	H3	111.236
C2	C1	F5	109.337	C2	C1	Cl7	109.227
H3	C1	F5	110.177	H3	C1	Cl7	107.601
H4	C2	F6	110.177	H4	C2	Cl8	107.601
F5	C1	Cl7	109.222	F6	C2	Cl8	109.222

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

using model chemistry: wB97X-D/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	0.155
2	C	0.155
3	H	0.101
4	H	0.101
5	F	-0.176
6	F	-0.176
7	Cl	-0.080
8	Cl	-0.080

	x	y	z
x	5.147	-1.430	0.826
y	-1.430	7.471	-1.587
z	0.826	-1.587	5.701

<r²>	256.538
(<r²>)^1/2	16.017