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	hartrees
Energy at 0K	-1747.844785
Energy at 298.15K	-1747.846414
HF Energy	-1747.844785
Nuclear repulsion energy	697.188392

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1249	1184	130.32
2	A	1206	1143	60.09
3	A	1155	1095	135.32
4	A	1032	978	62.15
5	A	878	832	173.94
6	A	799	757	265.04
7	A	632	599	13.00
8	A	517	490	4.51
9	A	447	424	3.19
10	A	423	401	0.40
11	A	378	358	0.91
12	A	340	322	1.10
13	A	304	288	0.57
14	A	286	271	0.27
15	A	244	231	0.21
16	A	198	187	2.38
17	A	167	158	1.75
18	A	60	57	0.18

Atom	x (Å)	y (Å)	z (Å)
C1	0.582	0.232	0.275
C2	-0.709	-0.530	-0.209
F3	0.444	0.303	1.649
Cl4	1.965	-0.836	-0.079
Cl5	0.739	1.712	-0.395
Cl6	-2.169	0.365	0.188
F7	-0.627	-0.707	-1.549
F8	-0.743	-1.741	0.395

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5751	1.3830	1.7826	1.6320	2.7559	2.3809	2.3790
C2	1.5751		2.3396	2.6946	2.6751	1.7580	1.3541	1.3537
F3	1.3830	2.3396		2.5683	2.4999	2.9943	3.5202	2.6747
Cl4	1.7826	2.6946	2.5683		2.8451	4.3133	2.9826	2.8937
Cl5	1.6320	2.6751	2.4999	2.8451		3.2574	3.0081	3.8392
Cl6	2.7559	1.7580	2.9943	4.3133	3.2574		2.5581	2.5520
F7	2.3809	1.3541	3.5202	2.9826	3.0081	2.5581		2.2051
F8	2.3790	1.3537	2.6747	2.8937	3.8392	2.5520	2.2051

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	111.430	C1	C2	F7	108.512
C1	C2	F8	108.402	C2	C1	F3	104.356
C2	C1	Cl4	106.577	C2	C1	Cl5	113.038
F3	C1	Cl4	107.786	F3	C1	Cl5	111.761
Cl4	C1	Cl5	112.786	Cl6	C2	F7	109.894
Cl6	C2	F8	109.509	F7	C2	F8	109.045

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

using model chemistry: wB97X-D/3-21G*

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	-0.012
2	C	0.481
3	F	-0.243
4	Cl	0.100
5	Cl	0.100
6	Cl	0.080
7	F	-0.252
8	F	-0.255

	x	y	z	Total
	0.061	0.321	-0.194	0.380
CHELPG
AIM
ESP

	x	y	z
x	8.133	-1.392	-0.850
y	-1.392	7.562	-0.317
z	-0.850	-0.317	5.279

<r²>	367.755
(<r²>)^1/2	19.177

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

using model chemistry: wB97X-D/3-21G*

States and conformations

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