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	hartrees
Energy at 0K	-1746.662213
Energy at 298.15K	-1746.663382
HF Energy	-1746.662213
Nuclear repulsion energy	679.616436

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1232	1221	150.94
2	A	1200	1189	52.91
3	A	1143	1133	149.10
4	A	949	940	64.02
5	A	768	761	159.47
6	A	704	697	323.49
7	A	596	591	18.61
8	A	475	471	5.27
9	A	398	394	6.59
10	A	365	361	1.05
11	A	340	336	1.04
12	A	302	299	1.07
13	A	280	277	0.55
14	A	254	252	0.36
15	A	219	217	0.85
16	A	186	184	1.96
17	A	149	148	2.37
18	A	62	62	0.06

Atom	x (Å)	y (Å)	z (Å)
C1	0.524	0.154	0.369
C2	-0.660	-0.571	-0.305
F3	0.351	0.240	1.721
Cl4	2.074	-0.844	-0.004
Cl5	0.715	1.843	-0.388
Cl6	-2.251	0.275	0.286
F7	-0.576	-0.491	-1.663
F8	-0.701	-1.880	0.100

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5439	1.3658	1.8813	1.8608	2.7786	2.3998	2.3900
C2	1.5439		2.4059	2.7646	2.7792	1.8961	1.3630	1.3711
F3	1.3658	2.4059		2.6688	2.6743	2.9715	3.5849	2.8692
Cl4	1.8813	2.7646	2.6688		3.0363	4.4769	3.1470	2.9642
Cl5	1.8608	2.7792	2.6743	3.0363		3.4213	2.9563	4.0130
Cl6	2.7786	1.8961	2.9715	4.4769	3.4213		2.6818	2.6609
F7	2.3998	1.3630	3.5849	3.1470	2.9563	2.6818		2.2482
F8	2.3900	1.3711	2.8692	2.9642	4.0130	2.6609	2.2482

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	107.310	C1	C2	F7	111.138
C1	C2	F8	110.009	C2	C1	F3	111.412
C2	C1	Cl4	107.225	C2	C1	Cl5	109.075
F3	C1	Cl4	109.525	F3	C1	Cl5	111.027
Cl4	C1	Cl5	108.459	Cl6	C2	F7	109.661
Cl6	C2	F8	107.986	F7	C2	F8	110.627

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

using model chemistry: PBEPBE/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	-0.174
2	C	0.364
3	F	-0.159
4	Cl	0.120
5	Cl	0.142
6	Cl	0.072
7	F	-0.180
8	F	-0.185

	x	y	z	Total
	0.129	-0.356	-0.037	0.380
CHELPG
AIM
ESP

	x	y	z
x	9.299	-1.905	-1.171
y	-1.905	7.913	-0.457
z	-1.171	-0.457	5.010

<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: PBEPBE/3-21G

States and conformations

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