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	hartrees
Energy at 0K	-1296.557969
Energy at 298.15K	-1296.560662
HF Energy	-1296.557969
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A'	3111	3050	2.86
2	A'	1320	1294	47.68
3	A'	1240	1216	197.19
4	A'	1131	1109	201.88
5	A'	840	824	21.68
6	A'	740	725	18.43
7	A'	648	635	29.62
8	A'	501	491	4.67
9	A'	363	356	0.29
10	A'	258	253	0.45
11	A'	208	204	1.11
12	A"	1243	1219	4.23
13	A"	1179	1156	210.78
14	A"	761	746	162.90
15	A"	530	519	9.18
16	A"	335	329	1.17
17	A"	181	178	1.29
18	A"	66	65	0.04

Atom	x (Å)	y (Å)	z (Å)
C1	0.566	-0.339	0.000
C2	-0.177	1.021	0.000
H3	1.642	-0.143	0.000
Cl4	0.185	-1.263	1.487
Cl5	0.185	-1.263	-1.487
F6	-1.513	0.875	0.000
F7	0.185	1.728	1.094
F8	0.185	1.728	-1.094

	C1	C2	H3	Cl4	Cl5	F6	F7	F8
C1		1.5495	1.0933	1.7914	1.7914	2.4076	2.3696	2.3696
C2	1.5495		2.1591	2.7488	2.7488	1.3436	1.3526	1.3526
H3	1.0933	2.1591		2.3635	2.3635	3.3148	2.6112	2.6112
Cl4	1.7914	2.7488	2.3635		2.9738	3.1089	3.0163	3.9506
Cl5	1.7914	2.7488	2.3635	2.9738		3.1089	3.9506	3.0163
F6	2.4076	1.3436	3.3148	3.1089	3.1089		2.1930	2.1930
F7	2.3696	1.3526	2.6112	3.0163	3.9506	2.1930		2.1889
F8	2.3696	1.3526	2.6112	3.9506	3.0163	2.1930	2.1889

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	F6	111.936	C1	C2	F7	108.868
C1	C2	F8	108.868	C2	C1	H3	107.800
C2	C1	Cl4	110.844	C2	C1	Cl5	110.844
H3	C1	Cl4	107.355	H3	C1	Cl5	107.355
Cl4	C1	Cl5	112.408	F6	C2	F7	109.280
F6	C2	F8	109.280	F7	C2	F8	108.548

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

using model chemistry: B97D3/6-31G*

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	-0.437
2	C	0.818
3	H	0.261
4	Cl	0.030
5	Cl	0.030
6	F	-0.223
7	F	-0.239
8	F	-0.239

	x	y	z	Total
	1.214	0.184	0.000	1.227
CHELPG
AIM
ESP

	x	y	z
x	4.742	0.152	0.000
y	0.152	6.204	0.000
z	0.000	0.000	8.049

<r²>	277.591
(<r²>)^1/2	16.661

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

using model chemistry: B97D3/6-31G*

States and conformations

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