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	hartrees
Energy at 0K	-1196.003358
Energy at 298.15K	-1196.007000
HF Energy	-1194.848769
Nuclear repulsion energy	379.847303

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3202	3202	18.00
2	A'	3184	3184	2.94
3	A'	1485	1485	46.64
4	A'	1307	1307	1.00
5	A'	1193	1193	129.61
6	A'	1119	1119	32.23
7	A'	833	833	31.21
8	A'	596	596	8.72
9	A'	417	417	17.59
10	A'	357	357	10.89
11	A'	264	264	0.29
12	A"	1434	1434	18.60
13	A"	1320	1320	18.50
14	A"	1208	1208	148.37
15	A"	878	878	119.98
16	A"	414	414	0.98
17	A"	191	191	1.59
18	A"	83	83	0.85

Atom	x (Å)	y (Å)	z (Å)
C1	0.405	-0.229	0.000
C2	-0.354	1.093	0.000
H3	1.481	-0.058	0.000
H4	-1.430	0.922	0.000
Cl5	-0.007	-1.135	1.464
Cl6	-0.007	-1.135	-1.464
F7	-0.007	1.807	1.086
F8	-0.007	1.807	-1.086

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5251	1.0891	2.1660	1.7701	1.7701	2.3444	2.3444
C2	1.5251		2.1660	1.0891	2.6887	2.6887	1.3450	1.3450
H3	1.0891	2.1660		3.0708	2.3485	2.3485	2.6213	2.6213
H4	2.1660	1.0891	3.0708		2.8981	2.8981	1.9966	1.9966
Cl5	1.7701	2.6887	2.3485	2.8981		2.9287	2.9660	3.8933
Cl6	1.7701	2.6887	2.3485	2.8981	2.9287		3.8933	2.9660
F7	2.3444	1.3450	2.6213	1.9966	2.9660	3.8933		2.1718
F8	2.3444	1.3450	2.6213	1.9966	3.8933	2.9660	2.1718

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	110.799	C1	C2	F7	109.379
C1	C2	F8	109.379	C2	C1	H3	110.799
C2	C1	Cl5	109.134	C2	C1	Cl6	109.134
H3	C1	Cl5	108.068	H3	C1	Cl6	108.068
H4	C2	F7	109.772	H4	C2	F8	109.772
Cl5	C1	Cl6	111.638	F7	C2	F8	107.680

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

using model chemistry: MP3=FULL/6-311G*

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/6-311G*

States and conformations

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