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	hartrees
Energy at 0K	-1195.661758
Energy at 298.15K	-1195.665360
HF Energy	-1194.741467
Nuclear repulsion energy	378.523148

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3225	3039	10.52
2	A'	3211	3026	3.89
3	A'	1472	1387	39.97
4	A'	1299	1224	0.65
5	A'	1182	1114	100.14
6	A'	1105	1041	45.44
7	A'	828	780	29.97
8	A'	575	542	7.35
9	A'	411	387	20.02
10	A'	357	336	10.52
11	A'	260	245	0.19
12	A"	1407	1326	13.38
13	A"	1313	1238	21.91
14	A"	1170	1103	158.46
15	A"	877	826	105.39
16	A"	409	386	0.58
17	A"	188	177	1.38
18	A"	86	81	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	-0.231	0.000
C2	-0.359	1.087	0.000
H3	1.482	-0.063	0.000
H4	-1.433	0.918	0.000
Cl5	-0.007	-1.136	1.466
Cl6	-0.007	-1.136	-1.466
F7	-0.007	1.814	1.097
F8	-0.007	1.814	-1.097

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5248	1.0871	2.1704	1.7719	1.7719	2.3579	2.3579
C2	1.5248		2.1704	1.0871	2.6860	2.6860	1.3629	1.3629
H3	1.0871	2.1704		3.0757	2.3485	2.3485	2.6351	2.6351
H4	2.1704	1.0871	3.0757		2.8994	2.8994	2.0101	2.0101
Cl5	1.7719	2.6860	2.3485	2.8994		2.9320	2.9733	3.9084
Cl6	1.7719	2.6860	2.3485	2.8994	2.9320		3.9084	2.9733
F7	2.3579	1.3629	2.6351	2.0101	2.9733	3.9084		2.1947
F8	2.3579	1.3629	2.6351	2.0101	3.9084	2.9733	2.1947

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.290	C1	C2	F7	109.352
C1	C2	F8	109.352	C2	C1	H3	111.290
C2	C1	Cl5	108.900	C2	C1	Cl6	108.900
H3	C1	Cl5	108.056	H3	C1	Cl6	108.056
H4	C2	F7	109.752	H4	C2	F8	109.752
Cl5	C1	Cl6	111.657	F7	C2	F8	107.252

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

using model chemistry: CCD/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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All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: CCD/6-31+G**

States and conformations

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