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	hartrees
Energy at 0K	-1196.293830
Energy at 298.15K	-1196.297402
HF Energy	-1194.916225
Nuclear repulsion energy	381.750621

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3176	3022	8.70
2	A'	3158	3004	4.72
3	A'	1438	1368	33.54
4	A'	1279	1216	1.44
5	A'	1167	1111	89.25
6	A'	1098	1045	45.58
7	A'	824	784	26.95
8	A'	579	551	5.76
9	A'	408	388	14.25
10	A'	345	328	9.48
11	A'	255	242	0.17
12	A"	1380	1313	6.10
13	A"	1249	1188	16.23
14	A"	1139	1083	162.40
15	A"	867	825	106.97
16	A"	410	390	0.59
17	A"	183	174	0.89
18	A"	80	76	0.74

Atom	x (Å)	y (Å)	z (Å)
C1	0.408	-0.229	0.000
C2	-0.354	1.078	0.000
H3	1.478	-0.053	0.000
H4	-1.424	0.902	0.000
Cl5	-0.007	-1.127	1.452
Cl6	-0.007	-1.127	-1.452
F7	-0.007	1.798	1.089
F8	-0.007	1.798	-1.089

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5122	1.0843	2.1527	1.7573	1.7573	2.3376	2.3376
C2	1.5122		2.1527	1.0843	2.6625	2.6625	1.3510	1.3510
H3	1.0843	2.1527		3.0550	2.3382	2.3382	2.6107	2.6107
H4	2.1527	1.0843	3.0550		2.8693	2.8693	1.9992	1.9992
Cl5	1.7573	2.6625	2.3382	2.8693		2.9048	2.9469	3.8745
Cl6	1.7573	2.6625	2.3382	2.8693	2.9048		3.8745	2.9469
F7	2.3376	1.3510	2.6107	1.9992	2.9469	3.8745		2.1782
F8	2.3376	1.3510	2.6107	1.9992	3.8745	2.9469	2.1782

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.930	C1	C2	F7	109.327
C1	C2	F8	109.327	C2	C1	H3	110.930
C2	C1	Cl5	108.814	C2	C1	Cl6	108.814
H3	C1	Cl5	108.405	H3	C1	Cl6	108.405
H4	C2	F7	109.872	H4	C2	F8	109.872
Cl5	C1	Cl6	111.484	F7	C2	F8	107.442

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

using model chemistry: MP2=FULL/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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All results from a given calculation for CHCl2CHF2 (1,1-dichloro-2,2-difluoroethane)

using model chemistry: MP2=FULL/aug-cc-pVTZ

States and conformations

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