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	hartrees
Energy at 0K	-1196.787736
Energy at 298.15K	-1196.791022
HF Energy	-1196.787736
Nuclear repulsion energy	372.165227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3044	3002	0.00
2	A_g	1360	1342	0.00
3	A_g	1269	1251	0.00
4	A_g	1099	1084	0.00
5	A_g	1053	1038	0.00
6	A_g	779	768	0.00
7	A_g	502	495	0.00
8	A_g	355	350	0.00
9	A_g	260	256	0.00
10	A_u	3055	3013	16.27
11	A_u	1285	1267	22.18
12	A_u	1190	1174	36.74
13	A_u	1120	1105	238.07
14	A_u	726	716	245.14
15	A_u	383	378	1.83
16	A_u	354	349	27.39
17	A_u	166	163	1.44
18	A_u	72	71	0.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.768
C2	0.000	0.000	0.768
H3	1.026	0.000	-1.168
H4	-1.026	0.000	1.168
F5	-0.693	-1.085	-1.219
F6	0.693	1.085	1.219
Cl7	-0.804	1.509	-1.348
Cl8	0.804	-1.509	1.348

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5355	1.1016	2.1909	1.3640	2.3674	1.8055	2.7205
C2	1.5355		2.1909	1.1016	2.3674	1.3640	2.7205	1.8055
H3	1.1016	2.1909		3.1096	2.0337	2.6429	2.3786	2.9426
H4	2.1909	1.1016	3.1096		2.6429	2.0337	2.9426	2.3786
F5	1.3640	2.3674	2.0337	2.6429		3.5457	2.5990	3.0022
F6	2.3674	1.3640	2.6429	2.0337	3.5457		3.0022	2.5990
Cl7	1.8055	2.7205	2.3786	2.9426	2.5990	3.0022		4.3547
Cl8	2.7205	1.8055	2.9426	2.3786	3.0022	2.5990	4.3547

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.300	C1	C2	F6	109.320
C1	C2	Cl8	108.762	C2	C1	H3	111.300
C2	C1	F5	109.320	C2	C1	Cl7	108.762
H3	C1	F5	110.694	H3	C1	Cl7	107.328
H4	C2	F6	110.694	H4	C2	Cl8	107.328
F5	C1	Cl7	109.381	F6	C2	Cl8	109.381

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

using model chemistry: PBEPBE/6-31G**

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	0.048
2	C	0.048
3	H	0.184
4	H	0.184
5	F	-0.215
6	F	-0.215
7	Cl	-0.017
8	Cl	-0.017

	x	y	z
x	5.489	-1.507	0.966
y	-1.507	8.080	-1.807
z	0.966	-1.807	6.179

<r²>	259.419
(<r²>)^1/2	16.106