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	hartrees
Energy at 0K	-1195.644736
Energy at 298.15K	-1195.648318
HF Energy	-1194.729254
Nuclear repulsion energy	378.395753

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3213	3024	16.39
2	A'	3202	3014	8.83
3	A'	1478	1391	42.38
4	A'	1299	1223	1.16
5	A'	1182	1113	98.32
6	A'	1113	1048	37.83
7	A'	825	777	31.75
8	A'	574	540	7.68
9	A'	406	382	16.74
10	A'	354	333	11.32
11	A'	260	245	0.27
12	A"	1434	1350	19.36
13	A"	1312	1235	24.45
14	A"	1191	1122	130.43
15	A"	869	818	113.51
16	A"	407	384	0.93
17	A"	188	177	1.45
18	A"	83	78	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.400	-0.227	0.000
C2	-0.362	1.094	0.000
H3	1.474	-0.054	0.000
H4	-1.436	0.921	0.000
Cl5	-0.005	-1.138	1.468
Cl6	-0.005	-1.138	-1.468
F7	-0.005	1.812	1.099
F8	-0.005	1.812	-1.099

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5254	1.0875	2.1651	1.7739	1.7739	2.3515	2.3515
C2	1.5254		2.1651	1.0875	2.6948	2.6948	1.3601	1.3601
H3	1.0875	2.1651		3.0682	2.3483	2.3483	2.6221	2.6221
H4	2.1651	1.0875	3.0682		2.9048	2.9048	2.0118	2.0118
Cl5	1.7739	2.6948	2.3483	2.9048		2.9353	2.9724	3.9097
Cl6	1.7739	2.6948	2.3483	2.9048	2.9353		3.9097	2.9724
F7	2.3515	1.3601	2.6221	2.0118	2.9724	3.9097		2.1975
F8	2.3515	1.3601	2.6221	2.0118	3.9097	2.9724	2.1975

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.799	C1	C2	F7	109.031
C1	C2	F8	109.031	C2	C1	H3	110.799
C2	C1	Cl5	109.299	C2	C1	Cl6	109.299
H3	C1	Cl5	107.890	H3	C1	Cl6	107.890
H4	C2	F7	110.068	H4	C2	F8	110.068
Cl5	C1	Cl6	111.657	F7	C2	F8	107.779

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

using model chemistry: QCISD/6-31G**

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

using model chemistry: QCISD/6-31G**

States and conformations

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