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	hartrees
Energy at 0K	-1195.908305
Energy at 298.15K	-1195.911863
HF Energy	-1194.746351
Nuclear repulsion energy	378.693044

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3168	2995	0.61
2	A	1443	1364	12.11
3	A	1331	1259	13.09
4	A	1187	1123	179.75
5	A	1116	1056	61.63
6	A	864	817	69.00
7	A	470	444	0.85
8	A	317	300	1.21
9	A	166	157	0.50
10	A	83	78	0.65
11	B	3180	3006	9.27
12	B	1387	1311	6.80
13	B	1257	1188	28.45
14	B	1157	1094	20.23
15	B	857	810	97.02
16	B	441	417	10.40
17	B	397	375	6.82
18	B	338	319	11.30

Atom	x (Å)	y (Å)	z (Å)
C1	-0.222	0.730	0.396
C2	0.222	-0.730	0.396
H3	-1.308	0.810	0.343
H4	1.308	-0.810	0.343
F5	0.222	1.281	1.545
F6	-0.222	-1.281	1.545
Cl7	0.477	1.600	-0.978
Cl8	-0.477	-1.600	-0.978

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5262	1.0896	2.1714	1.3489	2.3156	1.7702	2.7170
C2	1.5262		2.1714	1.0896	2.3156	1.3489	2.7170	1.7702
H3	1.0896	2.1714		3.0764	2.0015	2.6447	2.3563	2.8710
H4	2.1714	1.0896	3.0764		2.6447	2.0015	2.8710	2.3563
F5	1.3489	2.3156	2.0015	2.6447		2.5999	2.5551	3.8923
F6	2.3156	1.3489	2.6447	2.0015	2.5999		3.8923	2.5551
Cl7	1.7702	2.7170	2.3563	2.8710	2.5551	3.8923		3.3394
Cl8	2.7170	1.7702	2.8710	2.3563	3.8923	2.5551	3.3394

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.124	C1	C2	F6	107.139
C1	C2	Cl8	110.806	C2	C1	H3	111.124
C2	C1	F5	107.139	C2	C1	Cl7	110.806
H3	C1	F5	109.874	H3	C1	Cl7	108.612
H4	C2	F6	109.874	H4	C2	Cl8	108.612
F5	C1	Cl7	109.265	F6	C2	Cl8	109.265

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

using model chemistry: CCSD/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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