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	hartrees
Energy at 0K	-1195.818478
Energy at 298.15K	-1195.821945
HF Energy	-1194.807008
Nuclear repulsion energy	374.265039

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3170	3072	0.00
2	A_g	1395	1352	0.00
3	A_g	1304	1264	0.00
4	A_g	1146	1111	0.00
5	A_g	1061	1029	0.00
6	A_g	839	813	0.00
7	A_g	513	498	0.00
8	A_g	376	364	0.00
9	A_g	272	264	0.00
10	A_u	3180	3082	6.63
11	A_u	1306	1265	13.59
12	A_u	1230	1192	32.05
13	A_u	1092	1058	234.66
14	A_u	795	771	202.00
15	A_u	401	389	3.48
16	A_u	367	355	26.19
17	A_u	172	167	0.78
18	A_u	74	71	0.70

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.763
C2	0.000	0.000	0.763
H3	1.018	0.000	-1.172
H4	-1.018	0.000	1.172
F5	-0.674	-1.119	-1.203
F6	0.674	1.119	1.203
Cl7	-0.846	1.449	-1.352
Cl8	0.846	-1.449	1.352

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5258	1.0973	2.1864	1.3782	2.3601	1.7786	2.6999
C2	1.5258		2.1864	1.0973	2.3601	1.3782	2.6999	1.7786
H3	1.0973	2.1864		3.1049	2.0289	2.6476	2.3684	2.9154
H4	2.1864	1.0973	3.1049		2.6476	2.0289	2.9154	2.3684
F5	1.3782	2.3601	2.0289	2.6476		3.5512	2.5780	2.9913
F6	2.3601	1.3782	2.6476	2.0289	3.5512		2.9913	2.5780
Cl7	1.7786	2.6999	2.3684	2.9154	2.5780	2.9913		4.3102
Cl8	2.6999	1.7786	2.9154	2.3684	2.9913	2.5780	4.3102

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.880	C1	C2	F6	108.620
C1	C2	Cl8	109.343	C2	C1	H3	111.880
C2	C1	F5	108.620	C2	C1	Cl7	109.343
H3	C1	F5	109.563	H3	C1	Cl7	108.546
H4	C2	F6	109.563	H4	C2	Cl8	108.546
F5	C1	Cl7	108.843	F6	C2	Cl8	108.843

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

using model chemistry: MP2=FULL/aug-cc-pVDZ

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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