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	hartrees
Energy at 0K	-1195.626540
Energy at 298.15K	-1195.630075
HF Energy	-1194.734638
Nuclear repulsion energy	375.965197

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3215	3024	0.00
2	A_g	1427	1342	0.00
3	A_g	1365	1284	0.00
4	A_g	1156	1087	0.00
5	A_g	1076	1012	0.00
6	A_g	880	828	0.00
7	A_g	521	490	0.00
8	A_g	384	361	0.00
9	A_g	277	261	0.00
10	A_u	3226	3034	7.60
11	A_u	1343	1263	36.20
12	A_u	1287	1211	24.09
13	A_u	1100	1034	256.85
14	A_u	829	780	194.51
15	A_u	408	384	5.45
16	A_u	377	355	30.11
17	A_u	176	166	1.16
18	A_u	79	74	0.82

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.761
C2	0.000	0.000	0.761
H3	1.012	0.000	-1.161
H4	-1.012	0.000	1.161
F5	-0.648	-1.145	-1.187
F6	0.648	1.145	1.187
Cl7	-0.861	1.409	-1.366
Cl8	0.861	-1.409	1.366

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5220	1.0876	2.1716	1.3823	2.3503	1.7589	2.6929
C2	1.5220		2.1716	1.0876	2.3503	1.3823	2.6929	1.7589
H3	1.0876	2.1716		3.0791	2.0157	2.6370	2.3528	2.8969
H4	2.1716	1.0876	3.0791		2.6370	2.0157	2.8969	2.3528
F5	1.3823	2.3503	2.0157	2.6370		3.5430	2.5688	2.9775
F6	2.3503	1.3823	2.6370	2.0157	3.5430		2.9775	2.5688
Cl7	1.7589	2.6929	2.3528	2.8969	2.5688	2.9775		4.2866
Cl8	2.6929	1.7589	2.8969	2.3528	2.9775	2.5688	4.2866

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.559	C1	C2	F6	107.953
C1	C2	Cl8	110.120	C2	C1	H3	111.559
C2	C1	F5	107.953	C2	C1	Cl7	110.120
H3	C1	F5	108.808	H3	C1	Cl7	109.215
H4	C2	F6	108.808	H4	C2	Cl8	109.215
F5	C1	Cl7	109.139	F6	C2	Cl8	109.139

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

using model chemistry: MP2/6-31+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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