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	hartrees
Energy at 0K	-1196.814216
Energy at 298.15K	-1196.817484
HF Energy	-1196.814216
Nuclear repulsion energy	371.671414

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3055	3021	0.00
2	A_g	1338	1323	0.00
3	A_g	1262	1248	0.00
4	A_g	1070	1058	0.00
5	A_g	1025	1013	0.00
6	A_g	785	776	0.00
7	A_g	496	490	0.00
8	A_g	354	350	0.00
9	A_g	258	255	0.00
10	A_u	3067	3032	8.32
11	A_u	1264	1250	12.38
12	A_u	1192	1179	32.95
13	A_u	1059	1047	271.41
14	A_u	735	727	245.93
15	A_u	384	379	1.96
16	A_u	358	354	27.90
17	A_u	164	162	0.89
18	A_u	69	68	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.769
C2	0.000	0.000	0.769
H3	1.022	0.000	-1.178
H4	-1.022	0.000	1.178
F5	-0.671	-1.118	-1.215
F6	0.671	1.118	1.215
Cl7	-0.842	1.466	-1.371
Cl8	0.842	-1.466	1.371

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5374	1.1011	2.1989	1.3784	2.3740	1.7947	2.7271
C2	1.5374		2.1989	1.1011	2.3740	1.3784	2.7271	1.7947
H3	1.1011	2.1989		3.1195	2.0293	2.6648	2.3792	2.9463
H4	2.1989	1.1011	3.1195		2.6648	2.0293	2.9463	2.3792
F5	1.3784	2.3740	2.0293	2.6648		3.5648	2.5948	3.0161
F6	2.3740	1.3784	2.6648	2.0293	3.5648		3.0161	2.5948
Cl7	1.7947	2.7271	2.3792	2.9463	2.5948	3.0161		4.3534
Cl8	2.7271	1.7947	2.9463	2.3792	3.0161	2.5948	4.3534

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.831	C1	C2	F6	108.887
C1	C2	Cl8	109.615	C2	C1	H3	111.831
C2	C1	F5	108.887	C2	C1	Cl7	109.615
H3	C1	F5	109.353	H3	C1	Cl7	108.096
H4	C2	F6	109.353	H4	C2	Cl8	108.096
F5	C1	Cl7	109.018	F6	C2	Cl8	109.018

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

using model chemistry: PBEPBEultrafine/6-31+G**

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	-0.137
2	C	-0.137
3	H	0.234
4	H	0.234
5	F	-0.184
6	F	-0.184
7	Cl	0.087
8	Cl	0.087

	x	y	z
x	6.939	-1.330	1.021
y	-1.330	9.214	-1.643
z	1.021	-1.643	7.647

<r²>	260.718
(<r²>)^1/2	16.147