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	hartrees
Energy at 0K	-90.627087
Energy at 298.15K	-90.630352
HF Energy	-90.627087
Nuclear repulsion energy	133.045993

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3218	3218	18.32
2	A'	3200	3200	2.14
3	A'	1414	1414	20.38
4	A'	1264	1264	3.43
5	A'	1124	1124	71.79
6	A'	1028	1028	64.56
7	A'	771	771	38.92
8	A'	522	522	10.64
9	A'	375	375	26.33
10	A'	334	334	14.89
11	A'	238	238	0.58
12	A"	1342	1342	3.86
13	A"	1243	1243	13.19
14	A"	1066	1066	140.35
15	A"	802	802	130.90
16	A"	375	375	1.50
17	A"	172	172	2.53
18	A"	55	55	1.57

Atom	x (Å)	y (Å)	z (Å)
C1	0.420	-0.218	0.000
C2	-0.375	1.113	0.000
H3	1.504	-0.064	0.000
H4	-1.459	0.959	0.000
Cl5	-0.006	-1.175	1.520
Cl6	-0.006	-1.175	-1.520
F7	-0.006	1.871	1.131
F8	-0.006	1.871	-1.131

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5497	1.0949	2.2165	1.8460	1.8460	2.4134	2.4134
C2	1.5497		2.2165	1.0949	2.7714	2.7714	1.4109	1.4109
H3	1.0949	2.2165		3.1340	2.4133	2.4133	2.7023	2.7023
H4	2.2165	1.0949	3.1340		2.9957	2.9957	2.0548	2.0548
Cl5	1.8460	2.7714	2.4133	2.9957		3.0397	3.0710	4.0383
Cl6	1.8460	2.7714	2.4133	2.9957	3.0397		4.0383	3.0710
F7	2.4134	1.4109	2.7023	2.0548	3.0710	4.0383		2.2623
F8	2.4134	1.4109	2.7023	2.0548	4.0383	3.0710	2.2623

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.755	C1	C2	F7	109.117
C1	C2	F8	109.117	C2	C1	H3	112.755
C2	C1	Cl5	109.090	C2	C1	Cl6	109.090
H3	C1	Cl5	107.532	H3	C1	Cl6	107.532
H4	C2	F7	109.535	H4	C2	F8	109.535
Cl5	C1	Cl6	110.841	F7	C2	F8	106.591

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)

using model chemistry: wB97X-D/CEP-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	-0.445
2	C	0.125
3	H	0.306
4	H	0.240
5	Cl	0.055
6	Cl	0.055
7	F	-0.168
8	F	-0.168

	x	y	z	Total
	-0.323	-0.597	0.000	0.678
CHELPG
AIM
ESP

	x	y	z
x	3.462	0.430	0.000
y	0.430	5.511	0.000
z	0.000	0.000	8.092

<r²>	160.695
(<r²>)^1/2	12.677

All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: wB97X-D/CEP-31G

States and conformations

All results from a given calculation for CHCl₂CHF₂ (1,1-dichloro-2,2-difluoroethane)