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	hartrees
Energy at 0K	-1395.944424
Energy at 298.15K	-1395.946421
HF Energy	-1395.944424
Nuclear repulsion energy	608.767201

Mode Number	Symmetry	Frequency (cm^-1)	Scaled Frequency (cm^-1)	IR Intensities (km mol^-1)
1	A_g	1292	1237	0.00
2	A_g	1050	1006	0.00
3	A_g	701	672	0.00
4	A_g	426	408	0.00
5	A_g	354	339	0.00
6	A_g	251	241	0.00
7	A_u	1242	1190	376.85
8	A_u	369	353	0.99
9	A_u	217	208	1.85
10	A_u	63	60	0.06
11	B_g	1232	1180	0.00
12	B_g	541	518	0.00
13	B_g	319	306	0.00
14	B_u	1163	1114	351.61
15	B_u	823	789	419.97
16	B_u	599	574	13.52
17	B_u	424	406	0.09
18	B_u	166	159	1.42

Atom	x (Å)	y (Å)	z (Å)
C1	-0.237	0.741	0.000
C2	0.237	-0.741	0.000
Cl3	-2.023	0.827	0.000
Cl4	2.023	-0.827	0.000
F5	0.237	1.356	1.091
F6	0.237	1.356	-1.091
F7	-0.237	-1.356	1.091
F8	-0.237	-1.356	-1.091

	C1	C2	Cl3	Cl4	F5	F6	F7	F8
C1		1.5560	1.7885	2.7504	1.3388	1.3388	2.3640	2.3640
C2	1.5560		2.7504	1.7885	2.3640	2.3640	1.3388	1.3388
Cl3	1.7885	2.7504		4.3709	2.5645	2.5645	3.0242	3.0242
Cl4	2.7504	1.7885	4.3709		3.0242	3.0242	2.5645	2.5645
F5	1.3388	2.3640	2.5645	3.0242		2.1821	2.7530	3.5129
F6	1.3388	2.3640	2.5645	3.0242	2.1821		3.5129	2.7530
F7	2.3640	1.3388	3.0242	2.5645	2.7530	3.5129		2.1821
F8	2.3640	1.3388	3.0242	2.5645	3.5129	2.7530	2.1821

atom1	atom2	atom3	angle	atom1	atom2	atom3	angle
C1	C2	Cl4	110.448	C1	C2	F7	109.268
C1	C2	F8	109.268	C2	C1	Cl3	110.448
C2	C1	F5	109.268	C2	C1	F6	109.268
Cl3	C1	F5	109.337	Cl3	C1	F6	109.337
Cl4	C2	F7	109.337	Cl4	C2	F8	109.337
F5	C1	F6	109.163	F7	C2	F8	109.163

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

using model chemistry: B3LYPultrafine/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	0.431
2	C	0.431
3	Cl	0.016
4	Cl	0.016
5	F	-0.223
6	F	-0.223
7	F	-0.223
8	F	-0.223

	x	y	z
x	9.297	-0.810	0.000
y	-0.810	5.124	0.000
z	0.000	0.000	4.871

<r²>	315.331
(<r²>)^1/2	17.758

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

using model chemistry: B3LYPultrafine/6-31G*

States and conformations

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