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	hartrees
Energy at 0K	-89.101276
Energy at 298.15K	-89.104851
HF Energy	-89.101276
Nuclear repulsion energy	134.214227

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3356	3062	0.00
2	A_g	1526	1392	0.00
3	A_g	1420	1295	0.00
4	A_g	1225	1118	0.00
5	A_g	1116	1019	0.00
6	A_g	864	788	0.00
7	A_g	528	482	0.00
8	A_g	383	349	0.00
9	A_g	276	252	0.00
10	A_u	3365	3070	5.57
11	A_u	1415	1291	25.85
12	A_u	1356	1238	45.14
13	A_u	1150	1049	288.98
14	A_u	799	729	221.28
15	A_u	404	369	10.95
16	A_u	385	351	54.15
17	A_u	176	161	2.62
18	A_u	70	64	1.65

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.765
C2	0.000	0.000	0.765
H3	0.990	0.000	-1.183
H4	-0.990	0.000	1.183
F5	-0.684	-1.135	-1.199
F6	0.684	1.135	1.199
Cl7	-0.887	1.466	-1.401
Cl8	0.887	-1.466	1.401

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5293	1.0749	2.1852	1.3948	2.3692	1.8281	2.7617
C2	1.5293		2.1852	1.0749	2.3692	1.3948	2.7617	1.8281
H3	1.0749	2.1852		3.0858	2.0229	2.6568	2.3918	2.9732
H4	2.1852	1.0749	3.0858		2.6568	2.0229	2.9732	2.3918
F5	1.3948	2.3692	2.0229	2.6568		3.5747	2.6170	3.0561
F6	2.3692	1.3948	2.6568	2.0229	3.5747		3.0561	2.6170
Cl7	1.8281	2.7617	2.3918	2.9732	2.6170	3.0561		4.4271
Cl8	2.7617	1.8281	2.9732	2.3918	3.0561	2.6170	4.4271

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.929	C1	C2	F6	108.152
C1	C2	Cl8	110.373	C2	C1	H3	112.929
C2	C1	F5	108.152	C2	C1	Cl7	110.373
H3	C1	F5	109.300	H3	C1	Cl7	108.135
H4	C2	F6	109.300	H4	C2	Cl8	108.135
F5	C1	Cl7	107.830	F6	C2	Cl8	107.830

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

using model chemistry: HF/CEP-121G

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	-0.007
2	C	-0.007
3	H	0.234
4	H	0.234
5	F	-0.275
6	F	-0.275
7	Cl	0.048
8	Cl	0.048

	x	y	z
x	4.929	-1.785	1.119
y	-1.785	7.652	-1.784
z	1.119	-1.784	5.237

<r²>	153.596
(<r²>)^1/2	12.393