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	hartrees
Energy at 0K	-1385.697220
Energy at 298.15K	-1385.699538
HF Energy	-1385.697220
Nuclear repulsion energy	614.724341

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1371	1246	0.00
2	A_g	1171	1064	0.00
3	A_g	725	659	0.00
4	A_g	464	422	0.00
5	A_g	372	338	0.00
6	A_g	282	256	0.00
7	A_u	1385	1259	281.01
8	A_u	388	353	2.85
9	A_u	221	200	4.17
10	A_u	66	60	0.81
11	B_g	1351	1227	0.00
12	B_g	565	514	0.00
13	B_g	338	307	0.00
14	B_u	1265	1149	341.48
15	B_u	912	828	394.10
16	B_u	616	560	24.89
17	B_u	449	408	8.45
18	B_u	183	166	3.95

Atom	x (Å)	y (Å)	z (Å)
C1	-0.245	0.722	0.000
C2	0.245	-0.722	0.000
Cl3	-1.988	0.807	0.000
Cl4	1.988	-0.807	0.000
F5	0.245	1.337	1.099
F6	0.245	1.337	-1.099
F7	-0.245	-1.337	1.099
F8	-0.245	-1.337	-1.099

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5249	1.7445	2.7058	1.3514	1.3514	2.3343	2.3343
C2	1.5249		2.7058	1.7445	2.3343	2.3343	1.3514	1.3514
Cl3	1.7445	2.7058		4.2900	2.5443	2.5443	2.9734	2.9734
Cl4	2.7058	1.7445	4.2900		2.9734	2.9734	2.5443	2.5443
F5	1.3514	2.3343	2.5443	2.9734		2.1976	2.7194	3.4964
F6	1.3514	2.3343	2.5443	2.9734	2.1976		3.4964	2.7194
F7	2.3343	1.3514	2.9734	2.5443	2.7194	3.4964		2.1976
F8	2.3343	1.3514	2.9734	2.5443	3.4964	2.7194	2.1976

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	111.529	C1	C2	F7	108.342
C1	C2	F8	108.342	C2	C1	Cl3	111.529
C2	C1	F5	108.342	C2	C1	F6	108.342
Cl3	C1	F5	109.884	Cl3	C1	F6	109.884
Cl4	C2	F7	109.884	Cl4	C2	F8	109.884
F5	C1	F6	108.794	F7	C2	F8	108.794

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

using model chemistry: ROHF/3-21G*

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	0.623
2	C	0.623
3	Cl	0.092
4	Cl	0.092
5	F	-0.357
6	F	-0.357
7	F	-0.357
8	F	-0.357

<r²>	309.217
(<r²>)^1/2	17.585

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

using model chemistry: ROHF/3-21G*

States and conformations

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