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	hartrees
Energy at 0K	-1756.402120
Energy at 298.15K	-1756.403504
HF Energy	-1756.402120
Nuclear repulsion energy	687.290663

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1119	1116	68.88
2	A	1105	1102	225.59
3	A	1051	1049	179.50
4	A	948	946	82.74
5	A	805	803	188.08
6	A	725	723	358.11
7	A	618	616	13.65
8	A	501	500	2.82
9	A	421	420	3.42
10	A	400	399	0.69
11	A	363	362	1.36
12	A	332	331	0.04
13	A	298	297	1.20
14	A	274	273	0.18
15	A	228	227	0.08
16	A	191	191	1.07
17	A	156	155	0.82
18	A	64	64	0.10

Atom	x (Å)	y (Å)	z (Å)
C1	0.583	0.148	0.316
C2	-0.735	-0.539	-0.234
F3	0.479	0.249	1.667
Cl4	2.012	-0.900	-0.075
Cl5	0.802	1.798	-0.390
Cl6	-2.218	0.395	0.235
F7	-0.676	-0.645	-1.582
F8	-0.828	-1.784	0.295

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5841	1.3589	1.8157	1.8073	2.8125	2.4107	2.3926
C2	1.5841		2.3888	2.7754	2.8007	1.8138	1.3533	1.3566
F3	1.3589	2.3888		2.5894	2.5952	3.0573	3.5615	2.7788
Cl4	1.8157	2.7754	2.5894		2.9739	4.4348	3.0919	2.9972
Cl5	1.8073	2.8007	2.5952	2.9739		3.3878	3.0931	3.9944
Cl6	2.8125	1.8138	3.0573	4.4348	3.3878		2.5996	2.5855
F7	2.4107	1.3533	3.5615	3.0919	3.0931	2.5996		2.2011
F8	2.3926	1.3566	2.7788	2.9972	3.9944	2.5855	2.2011

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.547	C1	C2	F7	110.063
C1	C2	F8	108.649	C2	C1	F3	108.277
C2	C1	Cl4	109.250	C2	C1	Cl5	111.172
F3	C1	Cl4	108.449	F3	C1	Cl5	109.286
Cl4	C1	Cl5	110.340	Cl6	C2	F7	109.476
Cl6	C2	F8	108.410	F7	C2	F8	108.630

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

using model chemistry: BLYP/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	-0.023
2	C	0.355
3	F	-0.134
4	Cl	0.041
5	Cl	0.049
6	Cl	-0.002
7	F	-0.141
8	F	-0.146

	x	y	z	Total
	0.094	0.216	-0.164	0.287
CHELPG
AIM
ESP

	x	y	z
x	10.063	-1.745	-0.937
y	-1.745	9.159	-0.300
z	-0.937	-0.300	5.996

<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: BLYP/6-311G*

States and conformations

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