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	hartrees
Energy at 0K	-1752.631745
Energy at 298.15K	-1752.634017
HF Energy	-1752.631745
Nuclear repulsion energy	707.214417

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1381	1255	77.39
2	A	1360	1236	220.99
3	A	1276	1159	260.12
4	A	1190	1081	108.43
5	A	1015	923	233.12
6	A	898	816	319.51
7	A	720	654	15.06
8	A	581	528	4.88
9	A	502	456	1.60
10	A	485	440	1.08
11	A	434	394	0.96
12	A	389	354	0.43
13	A	346	315	0.85
14	A	320	290	0.09
15	A	266	242	0.17
16	A	220	200	1.60
17	A	181	165	0.82
18	A	80	72	0.26

Atom	x (Å)	y (Å)	z (Å)
C1	0.574	0.142	0.303
C2	-0.726	-0.518	-0.224
F3	0.470	0.239	1.616
Cl4	1.952	-0.887	-0.076
Cl5	0.796	1.746	-0.378
Cl6	-2.158	0.393	0.224
F7	-0.666	-0.632	-1.528
F8	-0.818	-1.721	0.294

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5507	1.3204	1.7611	1.7562	2.7446	2.3434	2.3257
C2	1.5507		2.3214	2.7076	2.7329	1.7552	1.3109	1.3126
F3	1.3204	2.3214		2.5152	2.5200	2.9778	3.4548	2.6922
Cl4	1.7611	2.7076	2.5152		2.8908	4.3151	3.0049	2.9164
Cl5	1.7562	2.7329	2.5200	2.8908		3.3045	3.0196	3.8828
Cl6	2.7446	1.7552	2.9778	4.3151	3.3045		2.5192	2.5042
F7	2.3434	1.3109	3.4548	3.0049	3.0196	2.5192		2.1282
F8	2.3257	1.3126	2.6922	2.9164	3.8828	2.5042	2.1282

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.093	C1	C2	F7	109.670
C1	C2	F8	108.350	C2	C1	F3	107.636
C2	C1	Cl4	109.523	C2	C1	Cl5	111.317
F3	C1	Cl4	108.568	F3	C1	Cl5	109.163
Cl4	C1	Cl5	110.548	Cl6	C2	F7	109.645
Cl6	C2	F8	108.569	F7	C2	F8	108.430

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: HF/6-311G**

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	0.117
2	C	0.581
3	F	-0.240
4	Cl	0.025
5	Cl	0.027
6	Cl	-0.022
7	F	-0.242
8	F	-0.246

	x	y	z	Total
	0.107	0.437	-0.266	0.523
CHELPG
AIM
ESP

	x	y	z
x	8.321	-1.437	-0.754
y	-1.437	7.792	-0.233
z	-0.754	-0.233	5.181

<r²>	0.000
(<r²>)^1/2	0.000

All results from a given calculation for CF2ClCFCl2 (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)

using model chemistry: HF/6-311G**

States and conformations

All results from a given calculation for CF₂ClCFCl₂ (Ethane, 1,1,2-trichloro-1,2,2-trifluoro-)