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	hartrees
Energy at 0K	-1196.684731
Energy at 298.15K	-1196.687998
HF Energy	-1196.506947
Nuclear repulsion energy	366.211988

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3219	0.65
2	A	1414	1414	0.99
3	A	1308	1308	19.11
4	A	1144	1144	28.78
5	A	1037	1037	161.47
6	A	780	780	85.85
7	A	420	420	3.54
8	A	297	297	1.74
9	A	158	158	1.39
10	A	74	74	0.98
11	B	3231	3231	2.57
12	B	1344	1344	6.21
13	B	1259	1259	28.14
14	B	1034	1034	13.09
15	B	758	758	114.64
16	B	406	406	18.47
17	B	359	359	12.86
18	B	322	322	14.48

Atom	x (Å)	y (Å)	z (Å)
C1	-0.242	0.718	0.420
C2	0.242	-0.718	0.420
H3	-1.323	0.808	0.384
H4	1.323	-0.808	0.384
F5	0.242	1.317	1.606
F6	-0.242	-1.317	1.606
Cl7	0.457	1.659	-1.021
Cl8	-0.457	-1.659	-1.021

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5160	1.0858	2.1867	1.4142	2.3561	1.8573	2.7884
C2	1.5160		2.1867	1.0858	2.3561	1.4142	2.7884	1.8573
H3	1.0858	2.1867		3.1013	2.0500	2.6800	2.4222	2.9686
H4	2.1867	1.0858	3.1013		2.6800	2.0500	2.9686	2.4222
F5	1.4142	2.3561	2.0500	2.6800		2.6786	2.6581	4.0311
F6	2.3561	1.4142	2.6800	2.0500	2.6786		4.0311	2.6581
Cl7	1.8573	2.7884	2.4222	2.9686	2.6581	4.0311		3.4417
Cl8	2.7884	1.8573	2.9686	2.4222	4.0311	2.6581	3.4417

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.348	C1	C2	F6	106.995
C1	C2	Cl8	111.098	C2	C1	H3	113.348
C2	C1	F5	106.995	C2	C1	Cl7	111.098
H3	C1	F5	109.471	H3	C1	Cl7	107.881
H4	C2	F6	109.471	H4	C2	Cl8	107.881
F5	C1	Cl7	107.917	F6	C2	Cl8	107.917

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

using model chemistry: B2PLYP=FULL/6-31G

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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