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	hartrees
Energy at 0K	-1293.822491
Energy at 298.15K	-1293.825760
HF Energy	-1293.822491
Nuclear repulsion energy	495.721875

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3317	3006	4.03
2	A'	1489	1350	103.99
3	A'	1429	1295	231.39
4	A'	1288	1167	200.67
5	A'	959	870	24.60
6	A'	834	756	20.79
7	A'	739	670	36.78
8	A'	578	524	7.96
9	A'	410	371	0.75
10	A'	284	258	0.67
11	A'	229	207	0.91
12	A"	1378	1249	73.60
13	A"	1352	1225	187.89
14	A"	925	839	130.93
15	A"	615	557	6.24
16	A"	390	354	0.05
17	A"	201	182	1.53
18	A"	80	73	0.02

Atom	x (Å)	y (Å)	z (Å)
C1	0.562	-0.338	0.000
C2	-0.167	1.006	0.000
H3	1.618	-0.143	0.000
Cl4	0.177	-1.248	1.455
Cl5	0.177	-1.248	-1.455
F6	-1.465	0.881	0.000
F7	0.177	1.702	1.056
F8	0.177	1.702	-1.056

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5292	1.0738	1.7587	1.7587	2.3654	2.3290	2.3290
C2	1.5292		2.1231	2.7052	2.7052	1.3039	1.3105	1.3105
H3	1.0738	2.1231		2.3266	2.3266	3.2487	2.5680	2.5680
Cl4	1.7587	2.7052	2.3266		2.9095	3.0576	2.9773	3.8739
Cl5	1.7587	2.7052	2.3266	2.9095		3.0576	3.8739	2.9773
F6	2.3654	1.3039	3.2487	3.0576	3.0576		2.1180	2.1180
F7	2.3290	1.3105	2.5680	2.9773	3.8739	2.1180		2.1113
F8	2.3290	1.3105	2.5680	3.8739	2.9773	2.1180	2.1113

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	112.970	C1	C2	F7	109.964
C1	C2	F8	109.964	C2	C1	H3	108.021
C2	C1	Cl4	110.533	C2	C1	Cl5	110.533
H3	C1	Cl4	107.998	H3	C1	Cl5	107.998
Cl4	C1	Cl5	111.620	F6	C2	F7	108.218
F6	C2	F8	108.218	F7	C2	F8	107.326

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

using model chemistry: HF/Def2TZVPP

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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Number	Element	Mulliken
1	C	0.096
2	C	0.663
3	H	0.090
4	Cl	-0.080
5	Cl	-0.080
6	F	-0.226
7	F	-0.231
8	F	-0.231

	x	y	z	Total
	1.397	-0.305	0.000	1.430
CHELPG
AIM
ESP

	x	y	z
x	5.522	0.132	0.000
y	0.132	6.657	0.000
z	0.000	0.000	8.191

<r²>	269.086
(<r²>)^1/2	16.404

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

using model chemistry: HF/Def2TZVPP

States and conformations

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