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	hartrees
Energy at 0K	-1196.681631
Energy at 298.15K	-1196.684898
HF Energy	-1196.506940
Nuclear repulsion energy	366.190245

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	0.98
3	A	1308	1308	19.12
4	A	1143	1143	28.74
5	A	1037	1037	161.45
6	A	780	780	85.95
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	2.59
12	B	1344	1344	6.26
13	B	1260	1260	28.10
14	B	1034	1034	13.08
15	B	758	758	114.73
16	B	406	406	18.50
17	B	359	359	12.84
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	0.809	0.384
H4	1.323	-0.809	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		1.5161	1.0858	2.1869	1.4142	2.3562	1.8573	2.7886
C2	1.5161		2.1869	1.0858	2.3562	1.4142	2.7886	1.8573
H3	1.0858	2.1869		3.1014	2.0500	2.6801	2.4222	2.9689
H4	2.1869	1.0858	3.1014		2.6801	2.0500	2.9689	2.4222
F5	1.4142	2.3562	2.0500	2.6801		2.6785	2.6582	4.0313
F6	2.3562	1.4142	2.6801	2.0500	2.6785		4.0313	2.6582
Cl7	1.8573	2.7886	2.4222	2.9689	2.6582	4.0313		3.4423
Cl8	2.7886	1.8573	2.9689	2.4222	4.0313	2.6582	3.4423

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	113.346	C1	C2	F6	106.990
C1	C2	Cl8	111.107	C2	C1	H3	113.346
C2	C1	F5	106.990	C2	C1	Cl7	111.107
H3	C1	F5	109.467	H3	C1	Cl7	107.879
H4	C2	F6	109.467	H4	C2	Cl8	107.879
F5	C1	Cl7	107.921	F6	C2	Cl8	107.921

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	0.010
2	C	0.010
3	H	0.238
4	H	0.238
5	F	-0.300
6	F	-0.300
7	Cl	0.052
8	Cl	0.052

	x	y	z	Total
	0.000	0.000	-0.472	0.472
CHELPG
AIM
ESP

	x	y	z
x	4.285	1.016	0.000
y	1.016	5.909	0.000
z	0.000	0.000	7.081

<r²>	260.095
(<r²>)^1/2	16.127