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	hartrees
Energy at 0K	-1195.903387
Energy at 298.15K	-1195.906945
HF Energy	-1194.748215
Nuclear repulsion energy	377.510303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3173	3006	0.00
2	A_g	1452	1375	0.00
3	A_g	1356	1284	0.00
4	A_g	1191	1128	0.00
5	A_g	1131	1071	0.00
6	A_g	865	819	0.00
7	A_g	533	505	0.00
8	A_g	386	366	0.00
9	A_g	276	262	0.00
10	A_u	3185	3017	8.96
11	A_u	1373	1300	27.04
12	A_u	1265	1198	37.47
13	A_u	1203	1139	217.79
14	A_u	816	773	187.99
15	A_u	412	390	3.37
16	A_u	372	352	26.01
17	A_u	174	165	1.05
18	A_u	79	75	0.74

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	-1.152
H4	-1.017	0.000	1.152
F5	-0.667	-1.082	-1.199
F6	0.667	1.082	1.199
Cl7	-0.813	1.465	-1.343
Cl8	0.813	-1.465	1.343

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5242	1.0895	2.1680	1.3439	2.3369	1.7733	2.6905
C2	1.5242		2.1680	1.0895	2.3369	1.3439	2.6905	1.7733
H3	1.0895	2.1680		3.0743	2.0024	2.6119	2.3519	2.9010
H4	2.1680	1.0895	3.0743		2.6119	2.0024	2.9010	2.3519
F5	1.3439	2.3369	2.0024	2.6119		3.4945	2.5549	2.9665
F6	2.3369	1.3439	2.6119	2.0024	3.4945		2.9665	2.5549
Cl7	1.7733	2.6905	2.3519	2.9010	2.5549	2.9665		4.2946
Cl8	2.6905	1.7733	2.9010	2.3519	2.9665	2.5549	4.2946

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.998	C1	C2	F6	108.972
C1	C2	Cl8	109.127	C2	C1	H3	110.998
C2	C1	F5	108.972	C2	C1	Cl7	109.127
H3	C1	F5	110.307	H3	C1	Cl7	108.091
H4	C2	F6	110.307	H4	C2	Cl8	108.091
F5	C1	Cl7	109.318	F6	C2	Cl8	109.318

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

using model chemistry: CCD/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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