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	hartrees
Energy at 0K	-1197.033608
Energy at 298.15K	-1197.037071
HF Energy	-1196.651891
Nuclear repulsion energy	376.353915

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3145	3145	0.00
2	A_g	1420	1420	0.00
3	A_g	1322	1322	0.00
4	A_g	1156	1156	0.00
5	A_g	1099	1099	0.00
6	A_g	824	824	0.00
7	A_g	524	524	0.00
8	A_g	374	374	0.00
9	A_g	271	271	0.00
10	A_u	3157	3157	10.74
11	A_u	1344	1344	19.48
12	A_u	1241	1241	39.14
13	A_u	1165	1165	225.42
14	A_u	773	773	222.65
15	A_u	401	401	2.11
16	A_u	368	368	25.29
17	A_u	172	172	1.12
18	A_u	75	75	0.71

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.762
C2	0.000	0.000	0.762
H3	1.015	0.000	-1.156
H4	-1.015	0.000	1.156
F5	-0.679	-1.073	-1.207
F6	0.679	1.073	1.207
Cl7	-0.802	1.487	-1.337
Cl8	0.802	-1.487	1.337

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5238	1.0892	2.1701	1.3460	2.3430	1.7844	2.6941
C2	1.5238		2.1701	1.0892	2.3430	1.3460	2.6941	1.7844
H3	1.0892	2.1701		3.0772	2.0067	2.6169	2.3550	2.9104
H4	2.1701	1.0892	3.0772		2.6169	2.0067	2.9104	2.3550
F5	1.3460	2.3430	2.0067	2.6169		3.5044	2.5665	2.9723
F6	2.3430	1.3460	2.6169	2.0067	3.5044		2.9723	2.5665
Cl7	1.7844	2.6941	2.3550	2.9104	2.5665	2.9723		4.3085
Cl8	2.6941	1.7844	2.9104	2.3550	2.9723	2.5665	4.3085

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.209	C1	C2	F6	109.303
C1	C2	Cl8	108.794	C2	C1	H3	111.209
C2	C1	F5	109.303	C2	C1	Cl7	108.794
H3	C1	F5	110.544	H3	C1	Cl7	107.600
H4	C2	F6	110.544	H4	C2	Cl8	107.600
F5	C1	Cl7	109.344	F6	C2	Cl8	109.344

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

using model chemistry: B2PLYP=FULL/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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