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	hartrees
Energy at 0K	-1396.122273
Energy at 298.15K	-1396.124422
HF Energy	-1396.122273
Nuclear repulsion energy	614.137969

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1301	1248	0.00
2	A_g	1056	1013	0.00
3	A_g	717	688	0.00
4	A_g	443	425	0.00
5	A_g	361	347	0.00
6	A_g	251	241	0.00
7	A_u	1235	1185	379.02
8	A_u	377	362	0.49
9	A_u	222	213	1.37
10	A_u	66	64	0.12
11	B_g	1221	1171	0.00
12	B_g	548	526	0.00
13	B_g	323	310	0.00
14	B_u	1168	1121	361.62
15	B_u	845	810	400.38
16	B_u	618	593	11.03
17	B_u	438	420	0.24
18	B_u	165	159	0.93

Atom	x (Å)	y (Å)	z (Å)
C1	-0.236	0.740	0.000
C2	0.236	-0.740	0.000
Cl3	-1.999	0.816	0.000
Cl4	1.999	-0.816	0.000
F5	0.236	1.352	1.080
F6	0.236	1.352	-1.080
F7	-0.236	-1.352	1.080
F8	-0.236	-1.352	-1.080

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5529	1.7654	2.7231	1.3280	1.3280	2.3545	2.3545
C2	1.5529		2.7231	1.7654	2.3545	2.3545	1.3280	1.3280
Cl3	1.7654	2.7231		4.3189	2.5394	2.5394	2.9966	2.9966
Cl4	2.7231	1.7654	4.3189		2.9966	2.9966	2.5394	2.5394
F5	1.3280	2.3545	2.5394	2.9966		2.1604	2.7452	3.4933
F6	1.3280	2.3545	2.5394	2.9966	2.1604		3.4933	2.7452
F7	2.3545	1.3280	2.9966	2.5394	2.7452	3.4933		2.1604
F8	2.3545	1.3280	2.9966	2.5394	3.4933	2.7452	2.1604

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.130	C1	C2	F7	109.379
C1	C2	F8	109.379	C2	C1	Cl3	110.130
C2	C1	F5	109.379	C2	C1	F6	109.379
Cl3	C1	F5	109.538	Cl3	C1	F6	109.538
Cl4	C2	F7	109.538	Cl4	C2	F8	109.538
F5	C1	F6	108.857	F7	C2	F8	108.857

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

using model chemistry: mPW1PW91/cc-pVTZ

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	0.353
2	C	0.353
3	Cl	-0.091
4	Cl	-0.091
5	F	-0.131
6	F	-0.131
7	F	-0.131
8	F	-0.131

	x	y	z
x	9.755	-0.755	0.000
y	-0.755	6.195	0.000
z	0.000	0.000	5.781

<r²>	310.311
(<r²>)^1/2	17.616

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

using model chemistry: mPW1PW91/cc-pVTZ

States and conformations

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