%chk=000052450.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052450

0 1
 Cl  -7.610700       3.215900      -1.371600    
 O   -2.474100     -0.9784000     -0.7792000    
 O    2.948700      6.5700002E-02 -0.7351000    
 O    2.816700      0.4530000       1.559800    
 N   -5.485800      0.5163000      0.7310000    
 C  -0.6781000      -3.162500     -0.3441000    
 C  -0.2115000      -1.760400     -0.5584000    
 C   -4.585100     -0.5321000      0.2532000    
 C   -1.126700     -0.7284000     -0.7662000    
 C   -3.325400      7.3799998E-02 -0.3448000    
 C   -6.227200       1.101200     -0.3859000    
 C   -6.407800     -1.8999999E-02   1.732000    
 C    1.156600      -1.487900     -0.5491000    
 C  -0.1844000      -4.120200      -1.444100    
 C  -0.2831000      -3.707400       1.040700    
 C  -0.6738000      0.5760000     -0.9647000    
 C   0.6940000      0.8484000     -0.9554000    
 C    1.609200     -0.1834000     -0.7478000    
 C   -6.690500       2.504100     -2.4700001E-02
 C   -5.655700     -0.5762000       2.928700    
 C    1.161100       2.250300      -1.168900    
 C    3.462100      0.3793000      0.5249000    
 C    4.922800      0.6369000      0.4578000    
 C    5.624000      0.9822000       1.613300    
 C    5.594300      0.5333000     -0.7605000    
 C    6.996200       1.224100       1.550400    
 C    6.966600      0.7750000     -0.8233000    
 C    7.667500       1.120400      0.3322000    
 H   -1.773800      -3.201700     -0.3809000    
 H   -5.078800      -1.194300     -0.4713000    
 H   -4.229900      -1.199500       1.043400    
 H   -2.845700      0.6824000      0.4341000    
 H   -3.550400      0.7072000      -1.208700    
 H   -7.076200      0.4677000     -0.6765000    
 H   -5.602200       1.190700      -1.281600    
 H   -7.056800     -0.7995000       1.314800    
 H   -7.060800      0.7766000       2.106600    
 H    1.883300      -2.280300     -0.3893000    
 H  -0.6196000      -5.116400      -1.309200    
 H  -0.4770000      -3.757300      -2.435700    
 H   0.9053000      -4.230100      -1.435000    
 H  -0.6475000      -3.047800       1.836200    
 H  -0.7189000      -4.699600       1.201200    
 H   0.8026000      -3.799600       1.152100    
 H   -1.360800       1.395000      -1.157500    
 H   -7.353200       2.519300      0.8440000    
 H   -5.840100       3.163200      0.1778000    
 H   -5.256900      -1.579400       2.752700    
 H   -4.841700      8.4700003E-02   3.245900    
 H   -6.344000     -0.6687000       3.777000    
 H   0.3588000       2.893300      -1.547000    
 H    1.969000       2.282400      -1.907800    
 H    1.519200       2.677700     -0.2270000    
 H    5.119700       1.068200       2.572100    
 H    5.087800      0.2668000      -1.683700    
 H    7.542300       1.493000       2.449900    
 H    7.490000      0.6943000      -1.771600    
 H    8.736100       1.308600      0.2833000    


%chk=000052450-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000052450

0 1
Cl -7.149942 3.053663 -2.320908
O -2.441374 -1.124444 0.061738
O 3.040027 0.086815 -0.433955
O 3.374670 0.765831 1.787047
N -5.885120 0.250285 0.466229
C -0.624033 -3.287511 -0.291162
C -0.159860 -1.831366 -0.211413
C -4.801981 -0.750552 0.355259
C -1.082620 -0.759244 -0.034354
C -3.435276 -0.057818 0.249932
C -6.370636 0.797817 -0.819150
C -6.951880 -0.069068 1.449030
C 1.206901 -1.492445 -0.308772
C -0.277502 -3.916424 -1.667402
C -0.032610 -4.133064 0.868351
C -0.640503 0.584261 0.032453
C 0.732459 0.917650 -0.063237
C 1.636069 -0.155710 -0.229341
C -6.446745 2.327640 -0.712006
C -6.492677 0.095106 2.910094
C 1.198401 2.356863 0.013449
C 3.831862 0.548692 0.642923
C 5.251266 0.734251 0.222828
C 6.179430 1.181588 1.199521
C 5.686593 0.479354 -1.104083
C 7.532172 1.372222 0.852207
C 7.041544 0.672525 -1.446529
C 7.965554 1.118291 -0.471433
H -1.723191 -3.290018 -0.185413
H -4.934109 -1.425805 -0.520110
H -4.800760 -1.390373 1.255016
H -3.225888 0.514140 1.175426
H -3.410797 0.639140 -0.613963
H -7.366505 0.392672 -1.104462
H -5.671379 0.527649 -1.631149
H -7.349440 -1.101566 1.292276
H -7.795123 0.622039 1.261939
H 1.960818 -2.274313 -0.447392
H -0.657621 -4.953587 -1.724401
H -0.725910 -3.337436 -2.494779
H 0.816235 -3.948687 -1.830135
H -0.299840 -3.704176 1.850785
H -0.417466 -5.169220 0.825550
H 1.071002 -4.180232 0.809406
H -1.358487 1.399664 0.161936
H -7.130815 2.661255 0.082534
H -5.453665 2.780842 -0.581698
H -5.649211 -0.576893 3.151857
H -6.164325 1.132886 3.094647
H -7.319688 -0.144954 3.603883
H 0.354683 3.055029 -0.118013
H 1.954625 2.577633 -0.761796
H 1.667282 2.560009 0.994051
H 5.819998 1.370937 2.216511
H 4.962244 0.134891 -1.846880
H 8.247144 1.716784 1.606993
H 7.378446 0.476613 -2.470222
H 9.017251 1.266770 -0.741211


