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	hartrees
Energy at 0K	-1756.531316
Energy at 298.15K	-1756.533067
HF Energy	-1756.531316
Nuclear repulsion energy	703.493885

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1235	1184	69.60
2	A	1219	1169	228.21
3	A	1151	1103	207.23
4	A	1053	1009	94.37
5	A	901	864	200.00
6	A	809	776	320.47
7	A	662	635	13.51
8	A	535	513	3.83
9	A	462	443	1.93
10	A	441	423	0.19
11	A	396	380	0.14
12	A	353	338	0.17
13	A	312	300	0.80
14	A	289	277	0.09
15	A	240	230	0.10
16	A	193	185	1.31
17	A	163	156	0.88
18	A	66	63	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.575	0.151	0.308
C2	-0.718	-0.531	-0.227
F3	0.465	0.249	1.638
Cl4	1.965	-0.870	-0.075
Cl5	0.764	1.759	-0.385
Cl6	-2.158	0.380	0.229
F7	-0.653	-0.639	-1.551
F8	-0.795	-1.754	0.295

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5570	1.3374	1.7664	1.7609	2.7435	2.3640	2.3464
C2	1.5570		2.3423	2.7080	2.7317	1.7637	1.3295	1.3318
F3	1.3374	2.3423		2.5364	2.5416	2.9799	3.4936	2.7206
Cl4	1.7664	2.7080	2.5364		2.9067	4.3181	3.0138	2.9210
Cl5	1.7609	2.7317	2.5416	2.9067		3.2884	3.0187	3.9024
Cl6	2.7435	1.7637	2.9799	4.3181	3.2884		2.5437	2.5321
F7	2.3640	1.3295	3.4936	3.0138	3.0187	2.5437		2.1613
F8	2.3464	1.3318	2.7206	2.9210	3.9024	2.5321	2.1613

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.264	C1	C2	F7	109.719
C1	C2	F8	108.382	C2	C1	F3	107.804
C2	C1	Cl4	108.980	C2	C1	Cl5	110.692
F3	C1	Cl4	108.823	F3	C1	Cl5	109.474
Cl4	C1	Cl5	110.991	Cl6	C2	F7	109.844
Cl6	C2	F8	108.971	F7	C2	F8	108.604

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

using model chemistry: B1B95/6-311G*

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	-0.059
2	C	0.356
3	F	-0.147
4	Cl	0.067
5	Cl	0.071
6	Cl	0.020
7	F	-0.152
8	F	-0.157

	x	y	z	Total
	0.105	0.337	-0.222	0.417
CHELPG
AIM
ESP

	x	y	z
x	9.188	-1.541	-0.813
y	-1.541	8.454	-0.262
z	-0.813	-0.262	5.672

<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: B1B95/6-311G*

States and conformations

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