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	hartrees
Energy at 0K	-1196.155912
Energy at 298.15K	-1196.159496
HF Energy	-1194.911766
Nuclear repulsion energy	379.763119

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3169	2983	12.25
2	A'	3156	2970	4.86
3	A'	1452	1367	41.52
4	A'	1284	1209	2.71
5	A'	1177	1108	112.56
6	A'	1104	1039	26.95
7	A'	819	770	28.57
8	A'	591	556	7.56
9	A'	408	384	15.06
10	A'	347	326	9.73
11	A'	254	239	0.24
12	A"	1405	1322	12.66
13	A"	1261	1187	14.29
14	A"	1186	1116	154.75
15	A"	860	809	107.35
16	A"	408	384	0.97
17	A"	184	173	1.08
18	A"	80	76	0.75

Atom	x (Å)	y (Å)	z (Å)
C1	0.407	-0.226	0.000
C2	-0.355	1.094	0.000
H3	1.480	-0.057	0.000
H4	-1.428	0.924	0.000
Cl5	-0.007	-1.136	1.462
Cl6	-0.007	-1.136	-1.462
F7	-0.007	1.809	1.086
F8	-0.007	1.809	-1.086

	C1	C2	H3	H4	Cl5	Cl6	F7	F8
C1		1.5247	1.0859	2.1659	1.7715	1.7715	2.3438	2.3438
C2	1.5247		2.1659	1.0859	2.6896	2.6896	1.3462	1.3462
H3	1.0859	2.1659		3.0686	2.3483	2.3483	2.6210	2.6210
H4	2.1659	1.0859	3.0686		2.8989	2.8989	1.9955	1.9955
Cl5	1.7715	2.6896	2.3483	2.8989		2.9249	2.9692	3.8948
Cl6	1.7715	2.6896	2.3483	2.8989	2.9249		3.8948	2.9692
F7	2.3438	1.3462	2.6210	1.9955	2.9692	3.8948		2.1722
F8	2.3438	1.3462	2.6210	1.9955	3.8948	2.9692	2.1722

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	H4	111.012	C1	C2	F7	109.297
C1	C2	F8	109.297	C2	C1	H3	111.012
C2	C1	Cl5	109.143	C2	C1	Cl6	109.143
H3	C1	Cl5	108.128	H3	C1	Cl6	108.128
H4	C2	F7	109.800	H4	C2	F8	109.800
Cl5	C1	Cl6	111.291	F7	C2	F8	107.565

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

using model chemistry: CCSD/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: CCSD/cc-pVTZ

States and conformations

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