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	hartrees
Energy at 0K	-1732.654539
Energy at 298.15K	-1732.655910
HF Energy	-1732.654539
Nuclear repulsion energy	683.386360

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1522	1243	26.59
2	A	1441	1176	47.22
3	A	1372	1120	97.34
4	A	1219	995	30.60
5	A	1085	886	159.77
6	A	912	744	212.25
7	A	691	564	17.68
8	A	545	445	22.18
9	A	486	397	4.11
10	A	460	375	0.87
11	A	405	330	3.79
12	A	351	286	5.22
13	A	308	252	0.83
14	A	283	231	0.87
15	A	232	189	0.90
16	A	182	149	2.42
17	A	148	121	1.94
18	A	47	39	0.28

Atom	x (Å)	y (Å)	z (Å)
C1	0.576	0.154	0.349
C2	-0.732	-0.544	-0.282
F3	0.442	0.304	1.691
Cl4	2.005	-0.929	-0.005
Cl5	0.818	1.781	-0.437
Cl6	-2.211	0.364	0.324
F7	-0.688	-0.500	-1.640
F8	-0.807	-1.841	0.127

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.6111	1.3568	1.8279	1.8226	2.7956	2.4453	2.4382
C2	1.6111		2.4467	2.7775	2.7987	1.8388	1.3595	1.3620
F3	1.3568	2.4467		2.6150	2.6171	2.9856	3.6074	2.9338
Cl4	1.8279	2.7775	2.6150		2.9903	4.4227	3.1795	2.9589
Cl5	1.8226	2.7987	2.6171	2.9903		3.4299	2.9863	4.0100
Cl6	2.7956	1.8388	2.9856	4.4227	3.4299		2.6310	2.6223
F7	2.4453	1.3595	3.6074	3.1795	2.9863	2.6310		2.2213
F8	2.4382	1.3620	2.9338	2.9589	4.0100	2.6223	2.2213

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	108.077	C1	C2	F7	110.522
C1	C2	F8	109.901	C2	C1	F3	110.762
C2	C1	Cl4	107.566	C2	C1	Cl5	109.035
F3	C1	Cl4	109.504	F3	C1	Cl5	109.939
Cl4	C1	Cl5	110.000	Cl6	C2	F7	109.787
Cl6	C2	F8	109.116	F7	C2	F8	109.412

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

using model chemistry: HF/STO-3G

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	0.239
2	C	0.360
3	F	-0.075
4	Cl	-0.102
5	Cl	-0.092
6	Cl	-0.138
7	F	-0.094
8	F	-0.097

	x	y	z	Total
	0.009	-0.835	0.199	0.859
CHELPG
AIM
ESP

	x	y	z
x	4.651	-1.316	-0.821
y	-1.316	4.534	-0.253
z	-0.821	-0.253	2.602

<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/STO-3G

States and conformations

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