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	hartrees
Energy at 0K	-1197.198307
Energy at 298.15K	-1197.201675
HF Energy	-1197.198307
Nuclear repulsion energy	370.426206

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3219	3219	0.56
2	A	1425	1425	3.92
3	A	1314	1314	15.23
4	A	1174	1174	62.54
5	A	1095	1095	139.93
6	A	809	809	74.31
7	A	441	441	2.03
8	A	301	301	1.91
9	A	160	160	1.15
10	A	72	72	1.22
11	B	3231	3231	1.33
12	B	1352	1352	7.35
13	B	1259	1259	23.82
14	B	1106	1106	15.05
15	B	799	799	112.48
16	B	413	413	19.37
17	B	373	373	10.69
18	B	330	330	17.74

Atom	x (Å)	y (Å)	z (Å)
C1	-0.243	0.716	0.417
C2	0.243	-0.716	0.417
H3	-1.326	0.792	0.390
H4	1.326	-0.792	0.390
F5	0.243	1.306	1.587
F6	-0.243	-1.306	1.587
Cl7	0.440	1.637	-1.011
Cl8	-0.440	-1.637	-1.011

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5115	1.0867	2.1761	1.3971	2.3354	1.8310	2.7591
C2	1.5115		2.1761	1.0867	2.3354	1.3971	2.7591	1.8310
H3	1.0867	2.1761		3.0895	2.0393	2.6474	2.4066	2.9405
H4	2.1761	1.0867	3.0895		2.6474	2.0393	2.9405	2.4066
F5	1.3971	2.3354	2.0393	2.6474		2.6557	2.6263	3.9839
F6	2.3354	1.3971	2.6474	2.0393	2.6557		3.9839	2.6263
Cl7	1.8310	2.7591	2.4066	2.9405	2.6263	3.9839		3.3896
Cl8	2.7591	1.8310	2.9405	2.4066	3.9839	2.6263	3.3896

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.743	C1	C2	F6	106.759
C1	C2	Cl8	110.907	C2	C1	H3	112.743
C2	C1	F5	106.759	C2	C1	Cl7	110.907
H3	C1	F5	109.756	H3	C1	Cl7	108.432
H4	C2	F6	109.756	H4	C2	Cl8	108.432
F5	C1	Cl7	108.143	F6	C2	Cl8	108.143

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

using model chemistry: M06-2X/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	-0.031
2	C	-0.031
3	H	0.257
4	H	0.257
5	F	-0.304
6	F	-0.304
7	Cl	0.078
8	Cl	0.078

	x	y	z	Total
	0.000	0.000	-0.491	0.491
CHELPG
AIM
ESP

	x	y	z
x	4.318	0.950	0.000
y	0.950	5.740	0.000
z	0.000	0.000	6.863

<r²>	254.409
(<r²>)^1/2	15.950