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	hartrees
Energy at 0K	-1195.664050
Energy at 298.15K	-1195.667592
HF Energy	-1194.734833
Nuclear repulsion energy	376.374583

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3217	3021	0.00
2	A_g	1429	1342	0.00
3	A_g	1366	1283	0.00
4	A_g	1158	1087	0.00
5	A_g	1078	1012	0.00
6	A_g	881	827	0.00
7	A_g	522	490	0.00
8	A_g	385	361	0.00
9	A_g	278	261	0.00
10	A_u	3228	3032	7.62
11	A_u	1344	1262	35.42
12	A_u	1289	1210	24.57
13	A_u	1102	1035	255.92
14	A_u	830	780	193.64
15	A_u	410	385	5.59
16	A_u	377	354	29.76
17	A_u	177	166	1.17
18	A_u	80	75	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.760
C2	0.000	0.000	0.760
H3	1.011	0.000	-1.159
H4	-1.011	0.000	1.159
F5	-0.647	-1.143	-1.186
F6	0.647	1.143	1.186
Cl7	-0.861	1.408	-1.364
Cl8	0.861	-1.408	1.364

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5201	1.0866	2.1689	1.3807	2.3476	1.7572	2.6899
C2	1.5201		2.1689	1.0866	2.3476	1.3807	2.6899	1.7572
H3	1.0866	2.1689		3.0755	2.0139	2.6336	2.3509	2.8932
H4	2.1689	1.0866	3.0755		2.6336	2.0139	2.8932	2.3509
F5	1.3807	2.3476	2.0139	2.6336		3.5390	2.5658	2.9744
F6	2.3476	1.3807	2.6336	2.0139	3.5390		2.9744	2.5658
Cl7	1.7572	2.6899	2.3509	2.8932	2.5658	2.9744		4.2821
Cl8	2.6899	1.7572	2.8932	2.3509	2.9744	2.5658	4.2821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.535	C1	C2	F6	107.957
C1	C2	Cl8	110.112	C2	C1	H3	111.535
C2	C1	F5	107.957	C2	C1	Cl7	110.112
H3	C1	F5	108.835	H3	C1	Cl7	109.240
H4	C2	F6	108.835	H4	C2	Cl8	109.240
F5	C1	Cl7	109.115	F6	C2	Cl8	109.115

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

using model chemistry: MP2=FULL/6-31+G**

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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