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	hartrees
Energy at 0K	-1735.752686
Energy at 298.15K	-1735.753075
HF Energy	-1735.752686
Nuclear repulsion energy	656.642345

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A	1320	1221	35.91
2	A	1291	1194	112.19
3	A	1163	1076	107.94
4	A	884	818	12.72
5	A	814	753	165.92
6	A	703	650	232.40
7	A	594	550	26.03
8	A	464	429	9.71
9	A	395	365	6.46
10	A	370	342	1.41
11	A	341	316	0.13
12	A	295	273	1.66
13	A	253	234	0.78
14	A	232	214	0.29
15	A	182	168	0.55
16	A	155	143	2.66
17	A	122	113	1.94
18	A	28	26	1.17

Atom	x (Å)	y (Å)	z (Å)
C1	-0.584	0.151	-0.389
C2	0.767	-0.523	0.387
F3	-0.390	0.326	-1.731
Cl4	-2.047	-1.060	-0.091
Cl5	-0.968	1.820	0.456
Cl6	2.317	0.326	-0.459
F7	0.760	-0.237	1.741
F8	0.826	-1.893	0.169

	C1	C2	F3	Cl4	Cl5	Cl6	F7	F8
C1		1.6974	1.3674	1.9219	1.9103	2.9069	2.5482	2.5445
C2	1.6974		2.5587	2.9044	2.9162	1.9591	1.3837	1.3879
F3	1.3674	2.5587		2.7118	2.7115	2.9912	3.7007	3.1640
Cl4	1.9219	2.9044	2.7118		3.1237	4.5933	3.4519	3.0031
Cl5	1.9103	2.9162	2.7115	3.1237		3.7224	2.9776	4.1334
Cl6	2.9069	1.9591	2.9912	4.5933	3.7224		2.7525	2.7454
F7	2.5482	1.3837	3.7007	3.4519	2.9776	2.7525		2.2841
F8	2.5445	1.3879	3.1640	3.0031	4.1334	2.7454	2.2841

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl6	105.082	C1	C2	F7	111.182
C1	C2	F8	110.718	C2	C1	F3	112.758
C2	C1	Cl4	106.571	C2	C1	Cl5	107.723
F3	C1	Cl4	109.913	F3	C1	Cl5	110.541
Cl4	C1	Cl5	109.197	Cl6	C2	F7	109.655
Cl6	C2	F8	109.023	F7	C2	F8	110.993

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

using model chemistry: BLYP/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	0.159
2	C	0.229
3	F	0.033
4	Cl	-0.129
5	Cl	-0.114
6	Cl	-0.183
7	F	0.005
8	F	-0.000

	x	y	z	Total
	0.169	-1.342	-0.060	1.354
CHELPG
AIM
ESP

	x	y	z
x	6.114	1.264	-1.074
y	1.264	5.538	0.282
z	-1.074	0.282	3.408

<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: BLYP/STO-3G

States and conformations

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