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	hartrees
Energy at 0K	-89.516889
Energy at 298.15K	-89.520072
HF Energy	-89.084930
Nuclear repulsion energy	130.669885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3199	3091	1.20
2	A	1394	1347	0.40
3	A	1283	1239	14.55
4	A	1111	1074	12.55
5	A	961	929	177.11
6	A	792	765	81.77
7	A	420	406	0.21
8	A	288	278	1.60
9	A	156	151	1.38
10	A	66	64	1.21
11	B	3208	3100	14.16
12	B	1305	1261	9.25
13	B	1246	1204	25.16
14	B	950	918	15.99
15	B	777	751	90.96
16	B	391	378	19.84
17	B	355	343	15.17
18	B	321	310	14.01

Atom	x (Å)	y (Å)	z (Å)
C1	-0.258	0.737	0.419
C2	0.258	-0.737	0.419
H3	-1.359	0.810	0.441
H4	1.359	-0.810	0.441
F5	0.258	1.362	1.629
F6	-0.258	-1.362	1.629
Cl7	0.388	1.699	-1.037
Cl8	-0.388	-1.699	-1.037

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5616	1.1031	2.2378	1.4562	2.4223	1.8611	2.8410
C2	1.5616		2.2378	1.1031	2.4223	1.4562	2.8410	1.8611
H3	1.1031	2.2378		3.1637	2.0810	2.7095	2.4543	3.0694
H4	2.2378	1.1031	3.1637		2.7095	2.0810	3.0694	2.4543
F5	1.4562	2.4223	2.0810	2.7095		2.7717	2.6903	4.1101
F6	2.4223	1.4562	2.7095	2.0810	2.7717		4.1101	2.6903
Cl7	1.8611	2.8410	2.4543	3.0694	2.6903	4.1101		3.4860
Cl8	2.8410	1.8611	3.0694	2.4543	4.1101	2.6903	3.4860

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.115	C1	C2	F6	106.721
C1	C2	Cl8	111.913	C2	C1	H3	113.115
C2	C1	F5	106.721	C2	C1	Cl7	111.913
H3	C1	F5	108.005	H3	C1	Cl7	109.092
H4	C2	F6	108.005	H4	C2	Cl8	109.092
F5	C1	Cl7	107.761	F6	C2	Cl8	107.761

All results from a given calculation for CHFClCHFCl (1,2-dichloro-1,2-difluoroethane RR)

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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