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	hartrees
Energy at 0K	-1296.961765
Energy at 298.15K	-1296.964605
HF Energy	-1296.961765
Nuclear repulsion energy	488.530723

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3147	3045	3.95
2	A'	1325	1282	50.54
3	A'	1258	1217	179.92
4	A'	1131	1094	203.02
5	A'	864	835	20.70
6	A'	757	732	15.78
7	A'	665	644	27.00
8	A'	518	501	4.29
9	A'	371	359	0.67
10	A'	258	250	0.32
11	A'	208	202	0.59
12	A"	1233	1193	2.73
13	A"	1164	1126	218.21
14	A"	800	774	134.51
15	A"	548	530	5.43
16	A"	348	337	0.38
17	A"	182	176	1.07
18	A"	70	67	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.562	-0.341	0.000
C2	-0.174	1.018	0.000
H3	1.628	-0.144	0.000
Cl4	0.183	-1.259	1.476
Cl5	0.183	-1.259	-1.476
F6	-1.498	0.879	0.000
F7	0.183	1.720	1.083
F8	0.183	1.720	-1.083

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5456	1.0844	1.7785	1.7785	2.3941	2.3586	2.3586
C2	1.5456		2.1445	2.7368	2.7368	1.3311	1.3387	1.3387
H3	1.0844	2.1445		2.3469	2.3469	3.2894	2.5952	2.5952
Cl4	1.7785	2.7368	2.3469		2.9513	3.0945	3.0046	3.9266
Cl5	1.7785	2.7368	2.3469	2.9513		3.0945	3.9266	3.0046
F6	2.3941	1.3311	3.2894	3.0945	3.0945		2.1691	2.1691
F7	2.3586	1.3387	2.5952	3.0046	3.9266	2.1691		2.1652
F8	2.3586	1.3387	2.5952	3.9266	3.0046	2.1691	2.1652

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.445	C1	C2	F7	109.509
C1	C2	F8	109.509	C2	C1	H3	107.968
C2	C1	Cl4	110.638	C2	C1	Cl5	110.638
H3	C1	Cl4	107.639	H3	C1	Cl5	107.639
Cl4	C1	Cl5	112.134	F6	C2	F7	108.667
F6	C2	F8	108.667	F7	C2	F8	107.935

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

using model chemistry: B3LYP/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 CF3CHCl2 (1,1-Dichloro-2,2,2-trifluoroethane)

using model chemistry: B3LYP/aug-cc-pVTZ

States and conformations

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