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	hartrees
Energy at 0K	-1196.281441
Energy at 298.15K	-1196.274389
HF Energy	-1194.721590
Nuclear repulsion energy	380.661270

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3354	3354	6.96
2	A'	3337	3337	20.59
3	A'	1570	1570	57.80
4	A'	1384	1384	4.22
5	A'	1247	1247	156.88
6	A'	1168	1168	33.29
7	A'	866	866	45.95
8	A'	628	628	11.28
9	A'	431	431	20.16
10	A'	373	373	13.31
11	A'	271	271	0.36
12	A"	1537	1537	20.19
13	A"	1374	1374	29.50
14	A"	1273	1273	179.32
15	A"	915	915	154.33
16	A"	433	433	1.52
17	A"	197	197	1.74
18	A"	87	87	1.13

Atom	x (Å)	y (Å)	z (Å)
C1	0.390	-0.223	0.000
C2	-0.365	1.105	0.000
H3	1.452	-0.035	0.000
H4	-1.438	0.976	0.000
Cl5	-0.003	-1.140	1.464
Cl6	-0.003	-1.140	-1.464
F7	-0.003	1.807	1.072
F8	-0.003	1.807	-1.072

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5274	1.0787	2.1857	1.7714	1.7714	2.3289	2.3289
C2	1.5274		2.1450	1.0807	2.7042	2.7042	1.3313	1.3313
H3	1.0787	2.1450		3.0616	2.3411	2.3411	2.5808	2.5808
H4	2.1857	1.0807	3.0616		2.9457	2.9457	1.9740	1.9740
Cl5	1.7714	2.7042	2.3411	2.9457		2.9277	2.9725	3.8875
Cl6	1.7714	2.7042	2.3411	2.9457	2.9277		3.8875	2.9725
F7	2.3289	1.3313	2.5808	1.9740	2.9725	3.8875		2.1442
F8	2.3289	1.3313	2.5808	1.9740	3.8875	2.9725	2.1442

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	112.745	C1	C2	F7	108.917
C1	C2	F8	108.917	C2	C1	H3	109.580
C2	C1	Cl5	109.901	C2	C1	Cl6	109.901
H3	C1	Cl5	107.973	H3	C1	Cl6	107.973
H4	C2	F7	109.416	H4	C2	F8	109.416
Cl5	C1	Cl6	111.458	F7	C2	F8	107.278

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

using model chemistry: CBS-Q

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

using model chemistry: CBS-Q

States and conformations

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