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	hartrees
Energy at 0K	-1756.134605
Energy at 298.15K	-1756.136025
HF Energy	-1756.134605
Nuclear repulsion energy	680.876446

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1197	1151	41.85
2	A	1168	1124	163.05
3	A	1096	1055	148.95
4	A	1003	965	79.53
5	A	830	799	168.62
6	A	747	719	293.70
7	A	606	583	14.15
8	A	497	478	6.63
9	A	422	406	3.56
10	A	401	385	0.44
11	A	363	349	0.43
12	A	328	315	1.06
13	A	298	287	0.75
14	A	271	261	0.47
15	A	230	221	0.34
16	A	192	185	1.98
17	A	156	151	1.32
18	A	66	64	0.19

Atom	x (Å)	y (Å)	z (Å)
C1	0.560	0.147	0.315
C2	-0.704	-0.540	-0.247
F3	0.430	0.233	1.693
Cl4	2.047	-0.883	-0.061
Cl5	0.767	1.840	-0.371
Cl6	-2.246	0.343	0.241
F7	-0.632	-0.597	-1.624
F8	-0.775	-1.830	0.247

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5441	1.3871	1.8477	1.8389	2.8132	2.3945	2.3856
C2	1.5441		2.3762	2.7788	2.8007	1.8420	1.3802	1.3830
F3	1.3871	2.3762		2.6341	2.6384	3.0464	3.5806	2.7922
Cl4	1.8477	2.7788	2.6341		3.0246	4.4746	3.1145	2.9920
Cl5	1.8389	2.8007	2.6384	3.0246		3.4196	3.0771	4.0282
Cl6	2.8132	1.8420	3.0464	4.4746	3.4196		2.6392	2.6241
F7	2.3945	1.3802	3.5806	3.1145	3.0771	2.6392		2.2443
F8	2.3856	1.3830	2.7922	2.9920	4.0282	2.6241	2.2443

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	112.067	C1	C2	F7	109.809
C1	C2	F8	109.055	C2	C1	F3	108.204
C2	C1	Cl4	109.699	C2	C1	Cl5	111.465
F3	C1	Cl4	108.194	F3	C1	Cl5	108.940
Cl4	C1	Cl5	110.254	Cl6	C2	F7	109.141
Cl6	C2	F8	108.067	F7	C2	F8	108.627

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

using model chemistry: B3LYP/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	-0.135
2	C	0.377
3	F	-0.232
4	Cl	0.157
5	Cl	0.162
6	Cl	0.149
7	F	-0.238
8	F	-0.239

	x	y	z	Total
	0.113	0.421	-0.200	0.480
CHELPG
AIM
ESP

	x	y	z
x	8.891	-1.839	-1.029
y	-1.839	8.158	-0.381
z	-1.029	-0.381	5.234

<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: B3LYP/6-31G

States and conformations

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