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	hartrees
Energy at 0K	-1197.593864
Energy at 298.15K	-1197.597083
HF Energy	-1197.593864
Nuclear repulsion energy	372.295516

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3052	3042	7.70
2	A'	3040	3029	5.65
3	A'	1345	1340	18.94
4	A'	1211	1207	0.90
5	A'	1049	1045	119.10
6	A'	1008	1005	30.00
7	A'	738	735	31.76
8	A'	537	535	6.08
9	A'	375	374	15.32
10	A'	324	323	6.79
11	A'	234	233	0.19
12	A"	1299	1294	2.05
13	A"	1185	1181	14.54
14	A"	999	995	166.90
15	A"	714	712	145.82
16	A"	364	363	3.75
17	A"	171	171	0.72
18	A"	67	67	0.68

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	-0.225	0.000
C2	-0.365	1.107	0.000
H3	1.490	-0.071	0.000
H4	-1.447	0.954	0.000
Cl5	-0.006	-1.158	1.495
Cl6	-0.006	-1.158	-1.495
F7	-0.006	1.844	1.110
F8	-0.006	1.844	-1.110

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5402	1.0929	2.1980	1.8103	1.8103	2.3841	2.3841
C2	1.5402		2.1980	1.0929	2.7379	2.7379	1.3798	1.3798
H3	1.0929	2.1980		3.1111	2.3779	2.3779	2.6719	2.6719
H4	2.1980	1.0929	3.1111		2.9619	2.9619	2.0254	2.0254
Cl5	1.8103	2.7379	2.3779	2.9619		2.9894	3.0272	3.9748
Cl6	1.8103	2.7379	2.3779	2.9619	2.9894		3.9748	3.0272
F7	2.3841	1.3798	2.6719	2.0254	3.0272	3.9748		2.2196
F8	2.3841	1.3798	2.6719	2.0254	3.9748	3.0272	2.2196

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.068	C1	C2	F7	109.341
C1	C2	F8	109.341	C2	C1	H3	112.068
C2	C1	Cl5	109.340	C2	C1	Cl6	109.340
H3	C1	Cl5	107.389	H3	C1	Cl6	107.389
H4	C2	F7	109.440	H4	C2	F8	109.440
Cl5	C1	Cl6	111.309	F7	C2	F8	107.084

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

using model chemistry: BLYP/aug-cc-pVTZ

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	0.148
2	C	0.602
3	H	0.151
4	H	0.295
5	Cl	-0.221
6	Cl	-0.221
7	F	-0.377
8	F	-0.377

	x	y	z	Total
	-0.082	-0.378	0.000	0.387
CHELPG
AIM
ESP

	x	y	z
x	7.275	0.051	0.000
y	0.051	9.044	0.000
z	0.000	0.000	10.634

<r²>	250.240
(<r²>)^1/2	15.819

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

using model chemistry: BLYP/aug-cc-pVTZ

States and conformations

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