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	hartrees
Energy at 0K	-1752.312211
Energy at 298.15K	-1752.314054
HF Energy	-1752.312211
Nuclear repulsion energy	687.565664

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1312	1181	53.98
2	A	1248	1124	183.51
3	A	1180	1062	197.11
4	A	1116	1005	76.73
5	A	948	854	164.56
6	A	839	755	221.15
7	A	650	586	12.54
8	A	536	483	7.43
9	A	461	415	3.14
10	A	440	396	3.78
11	A	398	359	4.45
12	A	357	321	1.91
13	A	322	290	0.63
14	A	295	266	0.32
15	A	249	224	0.44
16	A	208	187	3.13
17	A	168	152	1.37
18	A	74	66	0.48

Atom	x (Å)	y (Å)	z (Å)
C1	0.571	0.141	0.306
C2	-0.717	-0.524	-0.229
F3	0.455	0.238	1.675
Cl4	2.022	-0.886	-0.069
Cl5	0.780	1.807	-0.378
Cl6	-2.224	0.365	0.235
F7	-0.649	-0.614	-1.591
F8	-0.802	-1.798	0.264

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.5455	1.3778	1.8168	1.8126	2.8054	2.3790	2.3765
C2	1.5455		2.3624	2.7678	2.7744	1.8099	1.3676	1.3687
F3	1.3778	2.3624		2.6004	2.6043	3.0446	3.5522	2.7784
Cl4	1.8168	2.7678	2.6004		2.9814	4.4372	3.0861	2.9860
Cl5	1.8126	2.7744	2.6043	2.9814		3.3888	3.0624	3.9888
Cl6	2.8054	1.8099	3.0446	4.4372	3.3888		2.6036	2.5890
F7	2.3790	1.3676	3.5522	3.0861	3.0624	2.6036		2.2059
F8	2.3765	1.3687	2.7784	2.9860	3.9888	2.5890	2.2059

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	113.220	C1	C2	F7	109.351
C1	C2	F8	109.125	C2	C1	F3	107.689
C2	C1	Cl4	110.553	C2	C1	Cl5	111.173
F3	C1	Cl4	108.193	F3	C1	Cl5	108.663
Cl4	C1	Cl5	110.462	Cl6	C2	F7	109.258
Cl6	C2	F8	108.276	F7	C2	F8	107.444

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

using model chemistry: HF/SDD

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	-0.018
2	C	0.466
3	F	-0.240
4	Cl	0.110
5	Cl	0.099
6	Cl	0.087
7	F	-0.252
8	F	-0.252

	x	y	z	Total
	0.158	0.834	-0.313	0.905
CHELPG
AIM
ESP

	x	y	z
x	7.624	-1.773	-0.952
y	-1.773	7.362	-0.301
z	-0.952	-0.301	4.633

<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: HF/SDD

States and conformations

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