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	hartrees
Energy at 0K	-1197.334533
Energy at 298.15K	-1197.338057
HF Energy	-1197.334533
Nuclear repulsion energy	379.028562

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3189	3037	11.26
2	A'	3164	3013	4.82
3	A'	1429	1361	44.17
4	A'	1267	1207	3.44
5	A'	1165	1109	123.92
6	A'	1096	1043	24.00
7	A'	812	773	32.95
8	A'	577	550	8.47
9	A'	406	387	17.26
10	A'	345	329	12.28
11	A'	249	237	0.39
12	A"	1378	1312	14.42
13	A"	1261	1201	16.54
14	A"	1175	1119	168.66
15	A"	849	808	132.51
16	A"	405	386	1.43
17	A"	182	173	1.21
18	A"	80	76	1.15

Atom	x (Å)	y (Å)	z (Å)
C1	0.410	-0.229	0.000
C2	-0.361	1.090	0.000
H3	1.488	-0.060	0.000
H4	-1.439	0.921	0.000
Cl5	-0.007	-1.135	1.467
Cl6	-0.007	-1.135	-1.467
F7	-0.007	1.809	1.091
F8	-0.007	1.809	-1.091

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5273	1.0916	2.1774	1.7736	1.7736	2.3486	2.3486
C2	1.5273		2.1774	1.0916	2.6883	2.6883	1.3537	1.3537
H3	1.0916	2.1774		3.0876	2.3540	2.3540	2.6303	2.6303
H4	2.1774	1.0916	3.0876		2.9037	2.9037	2.0076	2.0076
Cl5	1.7736	2.6883	2.3540	2.9037		2.9331	2.9680	3.8998
Cl6	1.7736	2.6883	2.3540	2.9037	2.9331		3.8998	2.9680
F7	2.3486	1.3537	2.6303	2.0076	2.9680	3.8998		2.1818
F8	2.3486	1.3537	2.6303	2.0076	3.8998	2.9680	2.1818

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.405	C1	C2	F7	109.070
C1	C2	F8	109.070	C2	C1	H3	111.405
C2	C1	Cl5	108.830	C2	C1	Cl6	108.830
H3	C1	Cl5	108.117	H3	C1	Cl6	108.117
H4	C2	F7	109.907	H4	C2	F8	109.907
Cl5	C1	Cl6	111.561	F7	C2	F8	107.389

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

using model chemistry: M06-2X/6-31+G**

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	-0.435
2	C	0.455
3	H	0.274
4	H	0.180
5	Cl	0.052
6	Cl	0.052
7	F	-0.289
8	F	-0.289

	x	y	z	Total
	-0.065	-0.368	0.000	0.374
CHELPG
AIM
ESP

	x	y	z
x	5.809	0.163	0.000
y	0.163	7.071	0.000
z	0.000	0.000	8.714

<r²>	242.075
(<r²>)^1/2	15.559

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

using model chemistry: M06-2X/6-31+G**

States and conformations

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