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	hartrees
Energy at 0K	-1396.044548
Energy at 298.15K	-1396.046702
HF Energy	-1396.044548
Nuclear repulsion energy	613.402127

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1300	1244	0.00
2	A_g	1065	1019	0.00
3	A_g	716	685	0.00
4	A_g	445	426	0.00
5	A_g	361	346	0.00
6	A_g	254	243	0.00
7	A_u	1236	1182	434.32
8	A_u	381	365	0.61
9	A_u	221	212	2.08
10	A_u	62	59	0.17
11	B_g	1223	1170	0.00
12	B_g	548	525	0.00
13	B_g	328	314	0.00
14	B_u	1167	1116	412.18
15	B_u	847	811	437.58
16	B_u	617	590	13.97
17	B_u	441	422	0.26
18	B_u	168	161	1.41

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.740	0.000
C2	0.237	-0.740	0.000
Cl3	-2.001	0.827	0.000
Cl4	2.001	-0.827	0.000
F5	0.237	1.351	1.082
F6	0.237	1.351	-1.082
F7	-0.237	-1.351	1.082
F8	-0.237	-1.351	-1.082

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5531	1.7662	2.7318	1.3300	1.3300	2.3540	2.3540
C2	1.5531		2.7318	1.7662	2.3540	2.3540	1.3300	1.3300
Cl3	1.7662	2.7318		4.3304	2.5402	2.5402	3.0046	3.0046
Cl4	2.7318	1.7662	4.3304		3.0046	3.0046	2.5402	2.5402
F5	1.3300	2.3540	2.5402	3.0046		2.1637	2.7434	3.4940
F6	1.3300	2.3540	2.5402	3.0046	2.1637		3.4940	2.7434
F7	2.3540	1.3300	3.0046	2.5402	2.7434	3.4940		2.1637
F8	2.3540	1.3300	3.0046	2.5402	3.4940	2.7434	2.1637

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.610	C1	C2	F7	109.222
C1	C2	F8	109.222	C2	C1	Cl3	110.610
C2	C1	F5	109.222	C2	C1	F6	109.222
Cl3	C1	F5	109.450	Cl3	C1	F6	109.450
Cl4	C2	F7	109.450	Cl4	C2	F8	109.450
F5	C1	F6	108.861	F7	C2	F8	108.861

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

using model chemistry: mPW1PW91/6-311G**

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	0.324
2	C	0.324
3	Cl	0.006
4	Cl	0.006
5	F	-0.165
6	F	-0.165
7	F	-0.165
8	F	-0.165

	x	y	z
x	9.323	-0.775	0.000
y	-0.775	4.972	0.000
z	0.000	0.000	4.592

<r²>	311.668
(<r²>)^1/2	17.654

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

using model chemistry: mPW1PW91/6-311G**

States and conformations

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