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	hartrees
Energy at 0K	-1197.457972
Energy at 298.15K	-1197.461516
HF Energy	-1197.457972
Nuclear repulsion energy	378.210607

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	3172	3172	0.56
2	A	1429	1429	15.44
3	A	1322	1322	11.48
4	A	1168	1168	216.30
5	A	1106	1106	78.24
6	A	854	854	93.27
7	A	468	468	1.13
8	A	318	318	1.77
9	A	166	166	0.81
10	A	76	76	0.91
11	B	3183	3183	8.78
12	B	1369	1369	10.54
13	B	1249	1249	35.08
14	B	1141	1141	28.85
15	B	852	852	115.79
16	B	437	437	14.01
17	B	398	398	6.66
18	B	338	338	12.44

Atom	x (Å)	y (Å)	z (Å)
C1	-0.229	0.726	0.403
C2	0.229	-0.726	0.403
H3	-1.314	0.800	0.367
H4	1.314	-0.800	0.367
F5	0.229	1.289	1.547
F6	-0.229	-1.289	1.547
Cl7	0.444	1.604	-0.983
Cl8	-0.444	-1.604	-0.983

	C1	C2	H3	H4	F5	F6	Cl7	Cl8
C1		1.5229	1.0886	2.1706	1.3543	2.3174	1.7731	2.7198
C2	1.5229		2.1706	1.0886	2.3174	1.3543	2.7198	1.7731
H3	1.0886	2.1706		3.0772	2.0027	2.6334	2.3583	2.8913
H4	2.1706	1.0886	3.0772		2.6334	2.0027	2.8913	2.3583
F5	1.3543	2.3174	2.0027	2.6334		2.6187	2.5583	3.9016
F6	2.3174	1.3543	2.6334	2.0027	2.6187		3.9016	2.5583
Cl7	1.7731	2.7198	2.3583	2.8913	2.5583	3.9016		3.3287
Cl8	2.7198	1.7731	2.8913	2.3583	3.9016	2.5583	3.3287

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.351	C1	C2	F6	107.161
C1	C2	Cl8	110.988	C2	C1	H3	111.351
C2	C1	F5	107.161	C2	C1	Cl7	110.988
H3	C1	F5	109.649	H3	C1	Cl7	108.618
H4	C2	F6	109.649	H4	C2	Cl8	108.618
F5	C1	Cl7	109.039	F6	C2	Cl8	109.039

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

using model chemistry: M06-2X/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	0.033
2	C	0.033
3	H	0.208
4	H	0.208
5	F	-0.215
6	F	-0.215
7	Cl	-0.026
8	Cl	-0.026

	x	y	z	Total
	0.000	0.000	-0.346	0.346
CHELPG
AIM
ESP

	x	y	z
x	4.927	0.776	0.000
y	0.776	6.447	0.000
z	0.000	0.000	7.094

<r²>	245.432
(<r²>)^1/2	15.666