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	hartrees
Energy at 0K	-1197.055064
Energy at 298.15K	-1197.047902
HF Energy	-1194.720299
Nuclear repulsion energy	378.197587

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3363	3169	0.00
2	A_g	1569	1478	0.00
3	A_g	1474	1388	0.00
4	A_g	1253	1181	0.00
5	A_g	1199	1130	0.00
6	A_g	914	861	0.00
7	A_g	562	529	0.00
8	A_g	409	386	0.00
9	A_g	293	276	0.00
10	A_u	3374	3179	16.46
11	A_u	1474	1389	49.97
12	A_u	1379	1299	57.31
13	A_u	1261	1188	294.66
14	A_u	851	801	257.64
15	A_u	437	412	4.32
16	A_u	405	382	37.55
17	A_u	188	177	1.83
18	A_u	84	79	0.92

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.759
C2	0.000	0.000	0.759
H3	1.017	0.000	-1.153
H4	-1.017	0.000	1.153
F5	-0.664	-1.118	-1.189
F6	0.664	1.118	1.189
Cl7	-0.835	1.437	-1.351
Cl8	0.835	-1.437	1.351

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5190	1.0905	2.1660	1.3694	2.3425	1.7645	2.6865
C2	1.5190		2.1660	1.0905	2.3425	1.3694	2.6865	1.7645
H3	1.0905	2.1660		3.0747	2.0193	2.6188	2.3529	2.8928
H4	2.1660	1.0905	3.0747		2.6188	2.0193	2.8928	2.3529
F5	1.3694	2.3425	2.0193	2.6188		3.5238	2.5660	2.9668
F6	2.3425	1.3694	2.6188	2.0193	3.5238		2.9668	2.5660
Cl7	1.7645	2.6865	2.3529	2.8928	2.5660	2.9668		4.2842
Cl8	2.6865	1.7645	2.8928	2.3529	2.9668	2.5660	4.2842

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.337	C1	C2	F6	108.670
C1	C2	Cl8	109.918	C2	C1	H3	111.337
C2	C1	F5	108.670	C2	C1	Cl7	109.918
H3	C1	F5	109.939	H3	C1	Cl7	108.106
H4	C2	F6	109.939	H4	C2	Cl8	108.106
F5	C1	Cl7	108.838	F6	C2	Cl8	108.838

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

using model chemistry: G3

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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