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	hartrees
Energy at 0K	-1197.067630
Energy at 298.15K	-1197.071129
HF Energy	-1196.754193
Nuclear repulsion energy	376.426449

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3166	3166	0.60
2	A	1432	1432	8.24
3	A	1337	1337	15.84
4	A	1136	1136	128.29
5	A	1081	1081	148.19
6	A	840	840	106.74
7	A	460	460	1.93
8	A	317	317	1.55
9	A	169	169	0.79
10	A	80	80	0.63
11	B	3177	3177	15.28
12	B	1378	1378	11.15
13	B	1267	1267	35.09
14	B	1088	1088	26.10
15	B	826	826	116.67
16	B	437	437	12.81
17	B	392	392	8.09
18	B	335	335	11.15

Atom	x (Å)	y (Å)	z (Å)
C1	-0.225	0.729	0.400
C2	0.225	-0.729	0.400
H3	-1.308	0.813	0.360
H4	1.308	-0.813	0.360
F5	0.225	1.294	1.556
F6	-0.225	-1.294	1.556
Cl7	0.462	1.611	-0.986
Cl8	-0.462	-1.611	-0.986

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5259	1.0875	2.1744	1.3628	2.3303	1.7802	2.7300
C2	1.5259		2.1744	1.0875	2.3303	1.3628	2.7300	1.7802
H3	1.0875	2.1744		3.0800	2.0027	2.6538	2.3627	2.8985
H4	2.1744	1.0875	3.0800		2.6538	2.0027	2.8985	2.3627
F5	1.3628	2.3303	2.0027	2.6538		2.6272	2.5722	3.9206
F6	2.3303	1.3628	2.6538	2.0027	2.6272		3.9206	2.5722
Cl7	1.7802	2.7300	2.3627	2.8985	2.5722	3.9206		3.3519
Cl8	2.7300	1.7802	2.8985	2.3627	3.9206	2.5722	3.3519

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.507	C1	C2	F6	107.416
C1	C2	Cl8	111.096	C2	C1	H3	111.507
C2	C1	F5	107.416	C2	C1	Cl7	111.096
H3	C1	F5	109.119	H3	C1	Cl7	108.531
H4	C2	F6	109.119	H4	C2	Cl8	108.531
F5	C1	Cl7	109.128	F6	C2	Cl8	109.128

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

using model chemistry: B2PLYP/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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Number	Element	Mulliken
1	C	-0.018
2	C	-0.018
3	H	0.271
4	H	0.271
5	F	-0.216
6	F	-0.216
7	Cl	-0.037
8	Cl	-0.037

	x	y	z	Total
	0.000	0.000	-0.356	0.356
CHELPG
AIM
ESP

	x	y	z
x	4.910	0.783	0.000
y	0.783	6.420	0.000
z	0.000	0.000	7.098

<r²>	247.704
(<r²>)^1/2	15.739