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	hartrees
Energy at 0K	-1395.734473
Energy at 298.15K	-1395.736313
HF Energy	-1395.734473
Nuclear repulsion energy

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1237	1213	0.00
2	A_g	995	976	0.00
3	A_g	678	665	0.00
4	A_g	405	397	0.00
5	A_g	345	338	0.00
6	A_g	245	240	0.00
7	A_u	1195	1171	386.24
8	A_u	360	353	0.77
9	A_u	214	210	1.62
10	A_u	60	59	0.02
11	B_g	1184	1160	0.00
12	B_g	524	514	0.00
13	B_g	311	305	0.00
14	B_u	1119	1097	347.80
15	B_u	785	769	440.40
16	B_u	584	572	12.03
17	B_u	408	400	1.52
18	B_u	164	161	1.32

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.747	0.000
C2	0.237	-0.747	0.000
Cl3	-2.033	0.829	0.000
Cl4	2.033	-0.829	0.000
F5	0.237	1.365	1.098
F6	0.237	1.365	-1.098
F7	-0.237	-1.365	1.098
F8	-0.237	-1.365	-1.098

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5675	1.7987	2.7638	1.3460	1.3460	2.3809	2.3809
C2	1.5675		2.7638	1.7987	2.3809	2.3809	1.3460	1.3460
Cl3	1.7987	2.7638		4.3921	2.5779	2.5779	3.0416	3.0416
Cl4	2.7638	1.7987	4.3921		3.0416	3.0416	2.5779	2.5779
F5	1.3460	2.3809	2.5779	3.0416		2.1960	2.7716	3.5361
F6	1.3460	2.3809	2.5779	3.0416	2.1960		3.5361	2.7716
F7	2.3809	1.3460	3.0416	2.5779	2.7716	3.5361		2.1960
F8	2.3809	1.3460	3.0416	2.5779	3.5361	2.7716	2.1960

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.116	C1	C2	F7	109.315
C1	C2	F8	109.315	C2	C1	Cl3	110.116
C2	C1	F5	109.315	C2	C1	F6	109.315
Cl3	C1	F5	109.257	Cl3	C1	F6	109.257
Cl4	C2	F7	109.257	Cl4	C2	F8	109.257
F5	C1	F6	109.566	F7	C2	F8	109.566

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: B97D3/6-31G*

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	0.406
2	C	0.406
3	Cl	0.012
4	Cl	0.012
5	F	-0.209
6	F	-0.209
7	F	-0.209
8	F	-0.209

	x	y	z
x	9.675	-0.872	0.000
y	-0.872	5.311	0.000
z	0.000	0.000	5.025

<r²>	318.250
(<r²>)^1/2	17.840

All results from a given calculation for CF2ClCF2Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)

using model chemistry: B97D3/6-31G*

States and conformations

All results from a given calculation for CF₂ClCF₂Cl (1,2-Dichloro-1,1,2,2-tetrafluoroethane)