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	hartrees
Energy at 0K	-1755.367909
Energy at 298.15K	-1755.369413
HF Energy	-1755.367909
Nuclear repulsion energy	696.872249

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1189	1177	53.41
2	A	1179	1167	186.20
3	A	1121	1109	138.65
4	A	990	980	78.30
5	A	838	829	154.22
6	A	759	751	302.82
7	A	638	631	11.89
8	A	514	509	2.77
9	A	438	434	2.29
10	A	416	412	0.18
11	A	375	372	0.28
12	A	335	331	0.23
13	A	300	297	0.56
14	A	273	270	0.14
15	A	228	226	0.12
16	A	186	184	0.64
17	A	153	151	0.56
18	A	63	62	0.03

Atom	x (Å)	y (Å)	z (Å)
C1	0.573	0.154	0.323
C2	-0.721	-0.537	-0.242
F3	0.456	0.254	1.654
Cl4	1.978	-0.887	-0.063
Cl5	0.786	1.771	-0.391
Cl6	-2.183	0.381	0.240
F7	-0.655	-0.615	-1.573
F8	-0.801	-1.772	0.270

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5717	1.3398	1.7911	1.7804	2.7663	2.3864	2.3665
C2	1.5717		2.3679	2.7270	2.7600	1.7922	1.3349	1.3399
F3	1.3398	2.3679		2.5630	2.5674	2.9968	3.5222	2.7572
Cl4	1.7911	2.7270	2.5630		2.9314	4.3602	3.0468	2.9353
Cl5	1.7804	2.7600	2.5674	2.9314		3.3387	3.0277	3.9382
Cl6	2.7663	1.7922	2.9968	4.3602	3.3387		2.5720	2.5583
F7	2.3864	1.3349	3.5222	3.0468	3.0277	2.5720		2.1814
F8	2.3665	1.3399	2.7572	2.9353	3.9382	2.5583	2.1814

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	110.471	C1	C2	F7	110.111
C1	C2	F8	108.476	C2	C1	F3	108.583
C2	C1	Cl4	108.201	C2	C1	Cl5	110.698
F3	C1	Cl4	109.045	F3	C1	Cl5	109.936
Cl4	C1	Cl5	110.326	Cl6	C2	F7	109.801
Cl6	C2	F8	108.665	F7	C2	F8	109.280

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

using model chemistry: PBEPBE/6-31G(2df,p)

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	0.140
2	C	0.206
3	F	-0.028
4	Cl	-0.087
5	Cl	-0.074
6	Cl	-0.117
7	F	-0.015
8	F	-0.026

	x	y	z	Total
	0.072	0.001	-0.037	0.080
CHELPG
AIM
ESP

	x	y	z
x	10.691	-1.214	-0.655
y	-1.214	9.620	-0.254
z	-0.655	-0.254	7.196

<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/6-31G(2df,p)

States and conformations

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