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	hartrees
Energy at 0K	-1195.851911
Energy at 298.15K	-1195.855442
HF Energy	-1194.813419
Nuclear repulsion energy	376.806792

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3196	3196	8.55
2	A'	3180	3180	3.81
3	A'	1432	1432	38.62
4	A'	1260	1260	2.62
5	A'	1166	1166	85.84
6	A'	1088	1088	46.26
7	A'	806	806	29.55
8	A'	571	571	6.94
9	A'	401	401	16.41
10	A'	345	345	10.32
11	A'	253	253	0.14
12	A"	1374	1374	8.24
13	A"	1249	1249	16.59
14	A"	1149	1149	155.36
15	A"	842	842	108.30
16	A"	402	402	0.94
17	A"	182	182	0.94
18	A"	79	79	0.87

Atom	x (Å)	y (Å)	z (Å)
C1	0.414	-0.226	0.000
C2	-0.360	1.094	0.000
H3	1.497	-0.058	0.000
H4	-1.444	0.926	0.000
Cl5	-0.007	-1.144	1.473
Cl6	-0.007	-1.144	-1.473
F7	-0.007	1.823	1.096
F8	-0.007	1.823	-1.096

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5301	1.0960	2.1854	1.7859	1.7859	2.3614	2.3614
C2	1.5301		2.1854	1.0960	2.7024	2.7024	1.3627	1.3627
H3	1.0960	2.1854		3.1006	2.3687	2.3687	2.6459	2.6459
H4	2.1854	1.0960	3.1006		2.9186	2.9186	2.0171	2.0171
Cl5	1.7859	2.7024	2.3687	2.9186		2.9460	2.9910	3.9245
Cl6	1.7859	2.7024	2.3687	2.9186	2.9460		3.9245	2.9910
F7	2.3614	1.3627	2.6459	2.0171	2.9910	3.9245		2.1914
F8	2.3614	1.3627	2.6459	2.0171	3.9245	2.9910	2.1914

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.579	C1	C2	F7	109.291
C1	C2	F8	109.291	C2	C1	H3	111.579
C2	C1	Cl5	108.921	C2	C1	Cl6	108.921
H3	C1	Cl5	108.151	H3	C1	Cl6	108.151
H4	C2	F7	109.766	H4	C2	F8	109.766
Cl5	C1	Cl6	111.132	F7	C2	F8	107.036

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

using model chemistry: MP3=FULL/aug-cc-pVDZ

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: MP3=FULL/aug-cc-pVDZ

States and conformations

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