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	hartrees
Energy at 0K	-1195.796335
Energy at 298.15K	-1195.799935
HF Energy	-1194.839422
Nuclear repulsion energy	378.320801

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3179	3021	0.60
2	A	1445	1374	8.12
3	A	1358	1291	18.00
4	A	1163	1105	107.27
5	A	1103	1048	155.93
6	A	875	832	89.68
7	A	476	452	0.64
8	A	322	306	1.43
9	A	174	165	0.78
10	A	86	82	0.61
11	B	3190	3031	14.31
12	B	1392	1323	12.85
13	B	1286	1222	29.30
14	B	1111	1056	23.21
15	B	865	822	108.35
16	B	445	423	12.69
17	B	404	384	8.46
18	B	343	326	11.56

Atom	x (Å)	y (Å)	z (Å)
C1	-0.224	0.728	0.395
C2	0.224	-0.728	0.395
H3	-1.311	0.803	0.361
H4	1.311	-0.803	0.361
F5	0.224	1.293	1.551
F6	-0.224	-1.293	1.551
Cl7	0.454	1.596	-0.982
Cl8	-0.454	-1.596	-0.982

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5235	1.0900	2.1689	1.3629	2.3281	1.7636	2.7109
C2	1.5235		2.1689	1.0900	2.3281	1.3629	2.7109	1.7636
H3	1.0900	2.1689		3.0755	2.0038	2.6440	2.3558	2.8797
H4	2.1689	1.0900	3.0755		2.6440	2.0038	2.8797	2.3558
F5	1.3629	2.3281	2.0038	2.6440		2.6239	2.5619	3.9015
F6	2.3281	1.3629	2.6440	2.0038	2.6239		3.9015	2.5619
Cl7	1.7636	2.7109	2.3558	2.8797	2.5619	3.9015		3.3184
Cl8	2.7109	1.7636	2.8797	2.3558	3.9015	2.5619	3.3184

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.081	C1	C2	F6	107.390
C1	C2	Cl8	110.906	C2	C1	H3	111.081
C2	C1	F5	107.390	C2	C1	Cl7	110.906
H3	C1	F5	109.046	H3	C1	Cl7	108.995
H4	C2	F6	109.046	H4	C2	Cl8	108.995
F5	C1	Cl7	109.382	F6	C2	Cl8	109.382

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

using model chemistry: MP2/6-311G*

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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