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	hartrees
Energy at 0K	-1294.957057
Energy at 298.15K	-1294.960067
HF Energy	-1293.786409
Nuclear repulsion energy	490.866638

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3203	3036	2.57
2	A'	1370	1298	70.47
3	A'	1311	1243	196.18
4	A'	1173	1112	219.83
5	A'	892	846	25.00
6	A'	789	748	12.96
7	A'	687	651	28.95
8	A'	536	508	6.24
9	A'	388	368	0.88
10	A'	271	257	0.51
11	A'	217	205	1.00
12	A"	1294	1227	2.50
13	A"	1221	1157	239.66
14	A"	874	828	115.02
15	A"	571	541	3.52
16	A"	362	343	0.00
17	A"	189	179	1.81
18	A"	73	69	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.570	-0.342	0.000
C2	-0.168	1.000	0.000
H3	1.633	-0.128	0.000
Cl4	0.180	-1.245	1.472
Cl5	0.180	-1.245	-1.472
F6	-1.492	0.859	0.000
F7	0.180	1.711	1.080
F8	0.180	1.711	-1.080

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5316	1.0851	1.7706	1.7706	2.3859	2.3521	2.3521
C2	1.5316		2.1258	2.7078	2.7078	1.3315	1.3391	1.3391
H3	1.0851	2.1258		2.3508	2.3508	3.2777	2.5809	2.5809
Cl4	1.7706	2.7078	2.3508		2.9445	3.0649	2.9819	3.9057
Cl5	1.7706	2.7078	2.3508	2.9445		3.0649	3.9057	2.9819
F6	2.3859	1.3315	3.2777	3.0649	3.0649		2.1654	2.1654
F7	2.3521	1.3391	2.5809	2.9819	3.9057	2.1654		2.1609
F8	2.3521	1.3391	2.5809	3.9057	2.9819	2.1654	2.1609

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.698	C1	C2	F7	109.853
C1	C2	F8	109.853	C2	C1	H3	107.432
C2	C1	Cl4	109.958	C2	C1	Cl5	109.958
H3	C1	Cl4	108.417	H3	C1	Cl5	108.417
Cl4	C1	Cl5	112.505	F6	C2	F7	108.355
F6	C2	F8	108.355	F7	C2	F8	107.577

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: MP2/TZVP

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 CF3CHCl2 (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: MP2/TZVP

States and conformations

All results from a given calculation for CF₃CHCl₂ (1,1-Dichloro-2,2,2-trifluoroethane)