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	hartrees
Energy at 0K	-1195.901808
Energy at 298.15K	-1195.905384
HF Energy	-1194.746458
Nuclear repulsion energy	378.938047

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3173	3005	0.59
2	A	1448	1371	13.00
3	A	1337	1266	13.23
4	A	1195	1132	186.39
5	A	1121	1061	53.56
6	A	869	823	66.34
7	A	472	447	0.69
8	A	318	301	1.22
9	A	167	158	0.48
10	A	83	79	0.67
11	B	3185	3016	8.97
12	B	1392	1319	7.00
13	B	1262	1195	27.72
14	B	1167	1106	20.83
15	B	864	819	95.93
16	B	443	419	10.50
17	B	399	378	6.95
18	B	339	321	11.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.730	0.396
C2	0.222	-0.730	0.396
H3	-1.307	0.809	0.344
H4	1.307	-0.809	0.344
F5	0.222	1.281	1.543
F6	-0.222	-1.281	1.543
Cl7	0.475	1.600	-0.977
Cl8	-0.475	-1.600	-0.977

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5264	1.0895	2.1705	1.3474	2.3150	1.7684	2.7164
C2	1.5264		2.1705	1.0895	2.3150	1.3474	2.7164	1.7684
H3	1.0895	2.1705		3.0750	1.9999	2.6426	2.3549	2.8708
H4	2.1705	1.0895	3.0750		2.6426	1.9999	2.8708	2.3549
F5	1.3474	2.3150	1.9999	2.6426		2.5998	2.5527	3.8903
F6	2.3150	1.3474	2.6426	1.9999	2.5998		3.8903	2.5527
Cl7	1.7684	2.7164	2.3549	2.8708	2.5527	3.8903		3.3375
Cl8	2.7164	1.7684	2.8708	2.3549	3.8903	2.5527	3.3375

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.046	C1	C2	F6	107.165
C1	C2	Cl8	110.849	C2	C1	H3	111.046
C2	C1	F5	107.165	C2	C1	Cl7	110.849
H3	C1	F5	109.850	H3	C1	Cl7	108.635
H4	C2	F6	109.850	H4	C2	Cl8	108.635
F5	C1	Cl7	109.276	F6	C2	Cl8	109.276

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

using model chemistry: CCD/6-31G(2df,p)

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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