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	hartrees
Energy at 0K	-1197.114915
Energy at 298.15K	-1197.118383
HF Energy	-1197.114915
Nuclear repulsion energy	376.948179

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3122	3001	0.00
2	A_g	1404	1349	0.00
3	A_g	1303	1252	0.00
4	A_g	1143	1098	0.00
5	A_g	1091	1048	0.00
6	A_g	826	793	0.00
7	A_g	523	503	0.00
8	A_g	375	360	0.00
9	A_g	269	259	0.00
10	A_u	3135	3014	10.38
11	A_u	1323	1272	12.73
12	A_u	1227	1179	32.57
13	A_u	1149	1104	257.48
14	A_u	778	748	225.87
15	A_u	404	388	2.30
16	A_u	369	355	25.51
17	A_u	171	164	0.86
18	A_u	71	68	0.69

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	1.015	0.000	-1.155
H4	-1.015	0.000	1.155
F5	-0.669	-1.084	-1.207
F6	0.669	1.084	1.207
Cl7	-0.808	1.469	-1.343
Cl8	0.808	-1.469	1.343

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5208	1.0893	2.1678	1.3495	2.3438	1.7748	2.6897
C2	1.5208		2.1678	1.0893	2.3438	1.3495	2.6897	1.7748
H3	1.0893	2.1678		3.0755	2.0032	2.6219	2.3491	2.9050
H4	2.1678	1.0893	3.0755		2.6219	2.0032	2.9050	2.3491
F5	1.3495	2.3438	2.0032	2.6219		3.5094	2.5596	2.9723
F6	2.3438	1.3495	2.6219	2.0032	3.5094		2.9723	2.5596
Cl7	1.7748	2.6897	2.3491	2.9050	2.5596	2.9723		4.2961
Cl8	2.6897	1.7748	2.9050	2.3491	2.9723	2.5596	4.2961

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.230	C1	C2	F6	109.345
C1	C2	Cl8	109.166	C2	C1	H3	111.230
C2	C1	F5	109.345	C2	C1	Cl7	109.166
H3	C1	F5	109.993	H3	C1	Cl7	107.800
H4	C2	F6	109.993	H4	C2	Cl8	107.800
F5	C1	Cl7	109.270	F6	C2	Cl8	109.270

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

using model chemistry: HSEh1PBE/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	0.180
2	C	0.180
3	H	0.107
4	H	0.107
5	F	-0.165
6	F	-0.165
7	Cl	-0.122
8	Cl	-0.122

	x	y	z
x	6.214	-1.336	0.897
y	-1.336	8.469	-1.574
z	0.897	-1.574	6.988

<r²>	253.827
(<r²>)^1/2	15.932