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	hartrees
Energy at 0K	-1752.250683
Energy at 298.15K	-1752.252635
HF Energy	-1752.250683
Nuclear repulsion energy	691.184013

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1348	1217	54.84
2	A	1326	1198	152.92
3	A	1232	1113	174.27
4	A	1150	1038	88.46
5	A	955	863	179.85
6	A	848	766	259.12
7	A	662	598	15.57
8	A	546	493	8.34
9	A	467	422	3.40
10	A	449	406	3.09
11	A	403	364	4.47
12	A	363	328	1.93
13	A	329	297	0.85
14	A	300	271	0.47
15	A	253	229	0.54
16	A	211	191	2.89
17	A	173	156	1.59
18	A	77	69	0.50

Atom	x (Å)	y (Å)	z (Å)
C1	0.561	0.143	0.296
C2	-0.708	-0.523	-0.233
F3	0.437	0.225	1.657
Cl4	2.011	-0.884	-0.069
Cl5	0.777	1.813	-0.361
Cl6	-2.216	0.354	0.228
F7	-0.640	-0.610	-1.587
F8	-0.781	-1.785	0.270

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5277	1.3695	1.8138	1.8080	2.7863	2.3570	2.3487
C2	1.5277		2.3329	2.7479	2.7709	1.8047	1.3588	1.3600
F3	1.3695	2.3329		2.5869	2.5909	3.0160	3.5189	2.7288
Cl4	1.8138	2.7479	2.5869		2.9806	4.4151	3.0669	2.9531
Cl5	1.8080	2.7709	2.5909	2.9806		3.3811	3.0627	3.9708
Cl6	2.7863	1.8047	3.0160	4.4151	3.3811		2.5904	2.5763
F7	2.3570	1.3588	3.5189	3.0669	3.0627	2.5904		2.2016
F8	2.3487	1.3600	2.7288	2.9531	3.9708	2.5763	2.2016

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.205	C1	C2	F7	109.349
C1	C2	F8	108.709	C2	C1	F3	107.139
C2	C1	Cl4	110.346	C2	C1	Cl5	112.063
F3	C1	Cl4	107.892	F3	C1	Cl5	108.465
Cl4	C1	Cl5	110.761	Cl6	C2	F7	109.129
Cl6	C2	F8	108.172	F7	C2	F8	108.152

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

using model chemistry: HF/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	-0.098
2	C	0.575
3	F	-0.347
4	Cl	0.196
5	Cl	0.195
6	Cl	0.192
7	F	-0.358
8	F	-0.355

	x	y	z	Total
	0.139	0.783	-0.365	0.875
CHELPG
AIM
ESP

	x	y	z
x	8.060	-1.788	-0.950
y	-1.788	7.602	-0.348
z	-0.950	-0.348	4.746

<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/6-31G

States and conformations

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