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	hartrees
Energy at 0K	-89.593863
Energy at 298.15K	-89.597076
HF Energy	-89.095279
Nuclear repulsion energy	131.161065

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	3147	3072	0.00
2	A_g	1391	1358	0.00
3	A_g	1302	1271	0.00
4	A_g	1120	1094	0.00
5	A_g	962	939	0.00
6	A_g	791	772	0.00
7	A_g	472	461	0.00
8	A_g	345	337	0.00
9	A_g	253	247	0.00
10	A_u	3157	3081	6.37
11	A_u	1277	1246	21.71
12	A_u	1250	1220	26.15
13	A_u	980	957	201.04
14	A_u	733	716	157.17
15	A_u	364	355	9.01
16	A_u	344	336	43.90
17	A_u	162	158	2.00
18	A_u	64	63	1.36

Atom	x (Å)	y (Å)	z (Å)
C1	0.000	0.000	-0.773
C2	0.000	0.000	0.773
H3	1.004	0.000	-1.209
H4	-1.004	0.000	1.209
F5	-0.689	-1.202	-1.211
F6	0.689	1.202	1.211
Cl7	-0.944	1.463	-1.424
Cl8	0.944	-1.463	1.424

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5469	1.0942	2.2219	1.4526	2.4198	1.8584	2.8032
C2	1.5469		2.2219	1.0942	2.4198	1.4526	2.8032	1.8584
H3	1.0942	2.2219		3.1425	2.0758	2.7198	2.4453	3.0122
H4	2.2219	1.0942	3.1425		2.7198	2.0758	3.0122	2.4453
F5	1.4526	2.4198	2.0758	2.7198		3.6793	2.6856	3.1099
F6	2.4198	1.4526	2.7198	2.0758	3.6793		3.1099	2.6856
Cl7	1.8584	2.8032	2.4453	3.0122	2.6856	3.1099		4.4978
Cl8	2.8032	1.8584	3.0122	2.4453	3.1099	2.6856	4.4978

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.442	C1	C2	F6	107.510
C1	C2	Cl8	110.480	C2	C1	H3	113.442
C2	C1	F5	107.510	C2	C1	Cl7	110.480
H3	C1	F5	108.371	H3	C1	Cl7	109.073
H4	C2	F6	108.371	H4	C2	Cl8	109.073
F5	C1	Cl7	107.783	F6	C2	Cl8	107.783

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

using model chemistry: MP2/CEP-121G

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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