%chk=000158450.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158450

0 1
 Cl   9.338100     -0.2444000      2.2600001E-02
 F   -4.351100       1.845300      0.8747000    
 F   -6.496500      -2.054700     -0.7836000    
 O   -1.413200      -1.787900      0.3624000    
 O   -4.179900      -2.062800      0.4185000    
 N    1.237500     -0.8728000      0.1659000    
 N  -0.7281000      0.4144000     -9.9699996E-02
 N   -2.980500     -0.1083000      1.1500000E-02
 C    3.397400      0.1951000     -6.1000001E-02
 C    2.773000       1.412900     -0.3153000    
 C    2.589000     -0.9078000      0.1714000    
 C    4.840100      8.7399997E-02 -4.0600002E-02
 C    1.384600       1.488900     -0.3293000    
 C   0.6690000      0.3279000     -8.4799998E-02
 C    3.559600       2.656600     -0.5774000    
 C    3.187500      -2.249200      0.4515000    
 C    5.537100      0.2832000       1.151700    
 C    5.534000     -0.2115000      -1.213100    
 C    6.928000      0.1803000       1.171200    
 C    6.925000     -0.3145000      -1.193400    
 C    7.621900     -0.1186000     -1.2000001E-03
 C   -1.667600     -0.6115000      0.1170000    
 C   -5.418100     -0.1083000      4.6500001E-02
 C   -4.143600     -0.8612000      0.1680000    
 C   -5.445000       1.221400      0.4145000    
 C   -6.536100     -0.7622000     -0.4294000    
 C   -6.642300       1.928100      0.3013000    
 C   -7.733300     -5.5500001E-02 -0.5425000    
 C   -7.786400       1.289700     -0.1772000    
 H   0.8783000       2.429400     -0.5255000    
 H    2.907000       3.518500     -0.7566000    
 H    4.189100       2.906900      0.2827000    
 H    4.185700       2.540100      -1.468000    
 H    3.795400      -2.591100     -0.3920000    
 H    3.798000      -2.224100       1.359600    
 H    2.402700      -2.997500      0.6094000    
 H    5.011500      0.5172000       2.074500    
 H    5.005900     -0.3668000      -2.151000    
 H   -1.111600       1.336600     -0.2916000    
 H    7.458000      0.3358000       2.107400    
 H    7.452500     -0.5477000      -2.114700    
 H   -3.063600      0.8789000     -0.2129000    
 H   -6.683400       2.975400      0.5855000    
 H   -8.624100     -0.5527000     -0.9150000    
 H   -8.718600       1.839900     -0.2654000    


%chk=000158450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000158450

0 1
Cl 9.470331 -0.626280 -0.577778
F -4.565458 2.182303 -0.539807
F -6.442809 -2.089280 0.801657
O -1.368540 -1.304646 1.440693
O -4.239095 -0.879095 2.105014
N 1.149507 -0.667340 -0.045003
N -0.750393 0.704671 0.338806
N -2.985295 0.057230 0.347822
C 3.414383 0.268048 0.002826
C 2.886505 1.561493 0.302046
C 2.502998 -0.822334 -0.152493
C 4.890750 0.051632 -0.141062
C 1.487167 1.697020 0.440652
C 0.661368 0.561195 0.257101
C 3.790974 2.766425 0.475820
C 2.977775 -2.230226 -0.450310
C 5.733299 0.016766 1.001649
C 5.480425 -0.126377 -1.420332
C 7.125568 -0.190754 0.879077
C 6.871253 -0.330898 -1.563767
C 7.673164 -0.359642 -0.406888
C -1.654812 -0.288576 0.783582
C -5.437365 0.035875 0.204339
C -4.180968 -0.316660 0.987265
C -5.642108 1.257469 -0.479336
C -6.556190 -0.837941 0.195671
C -6.838730 1.631953 -1.105473
C -7.779697 -0.525031 -0.421205
C -7.918288 0.721843 -1.068347
H 1.051999 2.668520 0.700585
H 3.205409 3.698955 0.541636
H 4.400927 2.683015 1.394160
H 4.501747 2.857249 -0.365116
H 3.374220 -2.316013 -1.479400
H 3.791759 -2.535085 0.231431
H 2.129316 -2.922285 -0.342970
H 5.296471 0.138001 1.999292
H 4.849077 -0.099329 -2.315538
H -1.122820 1.647697 0.206299
H 7.767408 -0.222968 1.764131
H 7.318960 -0.464581 -2.552881
H -3.063213 0.612759 -0.508239
H -6.913728 2.603273 -1.600556
H -8.594497 -1.252794 -0.390592
H -8.865855 0.983544 -1.547861


