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	hartrees
Energy at 0K	-1195.912646
Energy at 298.15K	-1195.916175
HF Energy	-1194.748019
Nuclear repulsion energy	377.093382

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3164	2998	0.00
2	A_g	1443	1367	0.00
3	A_g	1348	1277	0.00
4	A_g	1179	1117	0.00
5	A_g	1123	1064	0.00
6	A_g	856	811	0.00
7	A_g	529	502	0.00
8	A_g	383	363	0.00
9	A_g	275	260	0.00
10	A_u	3176	3009	9.66
11	A_u	1365	1293	24.76
12	A_u	1257	1191	38.47
13	A_u	1188	1126	218.98
14	A_u	806	764	194.22
15	A_u	408	386	3.01
16	A_u	369	349	25.77
17	A_u	173	164	1.10
18	A_u	78	74	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.017	0.000	-1.155
H4	-1.017	0.000	1.155
F5	-0.670	-1.083	-1.200
F6	0.670	1.083	1.200
Cl7	-0.814	1.468	-1.342
Cl8	0.814	-1.468	1.342

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5247	1.0900	2.1700	1.3463	2.3390	1.7759	2.6918
C2	1.5247		2.1700	1.0900	2.3390	1.3463	2.6918	1.7759
H3	1.0900	2.1700		3.0773	2.0051	2.6145	2.3542	2.9034
H4	2.1700	1.0900	3.0773		2.6145	2.0051	2.9034	2.3542
F5	1.3463	2.3390	2.0051	2.6145		3.4989	2.5588	2.9683
F6	2.3390	1.3463	2.6145	2.0051	3.4989		2.9683	2.5588
Cl7	1.7759	2.6918	2.3542	2.9034	2.5588	2.9683		4.2982
Cl8	2.6918	1.7759	2.9034	2.3542	2.9683	2.5588	4.2982

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.099	C1	C2	F6	108.955
C1	C2	Cl8	109.050	C2	C1	H3	111.099
C2	C1	F5	108.955	C2	C1	Cl7	109.050
H3	C1	F5	110.329	H3	C1	Cl7	108.069
H4	C2	F6	110.329	H4	C2	Cl8	108.069
F5	C1	Cl7	109.309	F6	C2	Cl8	109.309

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

using model chemistry: QCISD/6-31G(2df,p)

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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