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	hartrees
Energy at 0K	-1196.981343
Energy at 298.15K	-1196.984606
HF Energy	-1196.981343
Nuclear repulsion energy	373.380934

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3029	2992	0.00
2	A_g	1333	1317	0.00
3	A_g	1242	1227	0.00
4	A_g	1070	1057	0.00
5	A_g	1025	1013	0.00
6	A_g	777	767	0.00
7	A_g	499	492	0.00
8	A_g	354	350	0.00
9	A_g	258	255	0.00
10	A_u	3042	3005	10.35
11	A_u	1264	1248	7.58
12	A_u	1172	1158	30.88
13	A_u	1066	1053	243.88
14	A_u	732	723	229.80
15	A_u	384	380	1.48
16	A_u	354	350	23.60
17	A_u	165	163	0.71
18	A_u	65	64	0.58

Atom	x (Å)	y (Å)	z (Å)
C1	-0.007	-0.010	-0.769
C2	0.007	0.010	0.769
H3	1.016	0.001	-1.167
H4	-1.016	-0.001	1.167
F5	-0.668	-1.116	-1.213
F6	0.668	1.116	1.213
Cl7	-0.828	1.461	-1.366
Cl8	0.828	-1.461	1.366

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5378	1.0981	2.1828	1.3632	2.3770	1.7868	2.7131
C2	1.5378		2.1828	1.0981	2.3770	1.3632	2.7131	1.7868
H3	1.0981	2.1828		3.0945	2.0217	2.6508	2.3604	2.9305
H4	2.1828	1.0981	3.0945		2.6508	2.0217	2.9305	2.3604
F5	1.3632	2.3770	2.0217	2.6508		3.5570	2.5863	3.0014
F6	2.3770	1.3632	2.6508	2.0217	3.5570		3.0014	2.5863
Cl7	1.7868	2.7131	2.3604	2.9305	2.5863	3.0014		4.3293
Cl8	2.7131	1.7868	2.9305	2.3604	3.0014	2.5863	4.3293

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.703	C1	C2	F6	109.901
C1	C2	Cl8	109.160	C2	C1	H3	110.703
C2	C1	F5	109.901	C2	C1	Cl7	109.160
H3	C1	F5	109.989	H3	C1	Cl7	107.395
H4	C2	F6	109.989	H4	C2	Cl8	107.395
F5	C1	Cl7	109.648	F6	C2	Cl8	109.648

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

using model chemistry: PBEPBE/Def2TZVPP

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	0.127
2	C	0.127
3	H	0.114
4	H	0.114
5	F	-0.143
6	F	-0.143
7	Cl	-0.098
8	Cl	-0.098

	x	y	z	Total
	0.000	0.000	0.000	0.000
CHELPG
AIM
ESP

	x	y	z
x	6.801	-1.315	1.019
y	-1.315	9.060	-1.615
z	1.019	-1.615	7.607

<r²>	257.921
(<r²>)^1/2	16.060