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	hartrees
Energy at 0K	-89.518087
Energy at 298.15K	-89.521261
HF Energy	-89.086478
Nuclear repulsion energy	130.650992

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3202	3094	0.00
2	A_g	1396	1349	0.00
3	A_g	1306	1262	0.00
4	A_g	1117	1080	0.00
5	A_g	960	927	0.00
6	A_g	797	770	0.00
7	A_g	471	455	0.00
8	A_g	344	332	0.00
9	A_g	253	245	0.00
10	A_u	3211	3102	15.46
11	A_u	1283	1240	21.62
12	A_u	1252	1210	27.76
13	A_u	975	942	204.98
14	A_u	739	714	149.56
15	A_u	364	351	7.85
16	A_u	352	340	43.74
17	A_u	162	157	2.10
18	A_u	62	60	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.780
C2	0.000	0.000	0.780
H3	1.014	0.000	-1.215
H4	-1.014	0.000	1.215
F5	-0.682	-1.210	-1.218
F6	0.682	1.210	1.218
Cl7	-0.943	1.462	-1.439
Cl8	0.943	-1.462	1.439

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5602	1.1030	2.2376	1.4558	2.4331	1.8599	2.8195
C2	1.5602		2.2376	1.1030	2.4331	1.4558	2.8195	1.8599
H3	1.1030	2.2376		3.1643	2.0827	2.7370	2.4523	3.0305
H4	2.2376	1.1030	3.1643		2.7370	2.0827	3.0305	2.4523
F5	1.4558	2.4331	2.0827	2.7370		3.6938	2.6929	3.1244
F6	2.4331	1.4558	2.7370	2.0827	3.6938		3.1244	2.6929
Cl7	1.8599	2.8195	2.4523	3.0305	2.6929	3.1244		4.5148
Cl8	2.8195	1.8599	3.0305	2.4523	3.1244	2.6929	4.5148

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.206	C1	C2	F6	107.503
C1	C2	Cl8	110.751	C2	C1	H3	113.206
C2	C1	F5	107.503	C2	C1	Cl7	110.751
H3	C1	F5	108.172	H3	C1	Cl7	109.040
H4	C2	F6	108.172	H4	C2	Cl8	109.040
F5	C1	Cl7	108.000	F6	C2	Cl8	108.000

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

using model chemistry: MP2/CEP-31G

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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