%chk=000021720.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021720

0 1
 O   -1.940600      0.2963000     -0.1682000    
 O    1.719800      -1.451700     -0.4481000    
 O  -0.8023000      -1.295700      -1.380200    
 N   -5.579200     -0.2552000      3.7500001E-02
 C   -4.289800      0.3939000      0.2716000    
 C   -6.658300      0.5134000      0.6568000    
 C   -5.564200      -1.623100      0.5545000    
 C   -3.169300     -0.3777000     -0.4070000    
 C   -6.688900       1.938500      0.1309000    
 C   -6.875600      -2.333700      0.2655000    
 C   0.3812000      0.5232000     -0.3923000    
 C    2.730800      0.6664000      2.9800000E-02
 C    1.606500     -0.1018000     -0.2730000    
 C  -0.8303000     -0.2725000     -0.7141000    
 C    4.037600      5.4499999E-02  0.1646000    
 C   0.2343000       1.886100     -0.2206000    
 C    2.606800       2.044300      0.2075000    
 C    1.358700       2.654200      8.2300000E-02
 C    4.462800     -0.4093000       1.408300    
 C    4.865700     -6.9399998E-02 -0.9496000    
 C    5.720300     -0.9986000       1.538400    
 C    6.123200     -0.6589000     -0.8194000    
 C    6.550500      -1.123400      0.4246000    
 H   -4.073000      0.5008000       1.343100    
 H   -4.256800       1.403700     -0.1519000    
 H   -7.632600      8.3499998E-02  0.4026000    
 H   -6.577100      0.5270000       1.751000    
 H   -4.813100      -2.233000      4.6000000E-02
 H   -5.350000      -1.656300       1.630000    
 H   -3.047800      -1.382400      5.7000001E-03
 H   -3.346100     -0.4442000      -1.487500    
 H   -7.635600       2.412100      0.4151000    
 H   -6.625400       1.971700     -0.9622000    
 H   -5.894100       2.559600      0.5553000    
 H   -6.759800      -3.407900      0.4499000    
 H   -7.181300      -2.214100     -0.7796000    
 H   -7.687800      -1.993500      0.9152000    
 H  -0.7214000       2.390600     -0.3269000    
 H    3.472400       2.659300      0.4432000    
 H    1.263000       3.727600      0.2171000    
 H    3.827600     -0.3201000       2.286500    
 H    4.547700      0.2871000      -1.926400    
 H    6.053100      -1.360500       2.506800    
 H    6.769800     -0.7564000      -1.686500    
 H    7.529600      -1.582400      0.5258000    
 H   0.8481000      -1.861800     -0.5600000    


%chk=000021720-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000021720

0 1
O -2.020434 0.356547 0.314831
O 1.732422 -1.143150 -0.894135
O -0.824902 -1.197185 -0.928112
N -5.721163 -0.186163 0.150556
C -4.435025 0.448035 0.528226
C -6.832808 0.784482 -0.032687
C -6.072420 -1.337780 1.027321
C -3.285608 -0.265958 -0.192380
C -6.710066 1.593008 -1.337994
C -6.978227 -2.372654 0.333882
C 0.379308 0.445873 0.390994
C 2.869915 0.508452 0.467764
C 1.656252 -0.071668 -0.028495
C -0.838117 -0.196073 -0.127681
C 4.222883 0.000293 0.094194
C 0.313648 1.543129 1.292274
C 2.748376 1.603158 1.358767
C 1.496693 2.120691 1.773798
C 5.271800 0.017154 1.057337
C 4.521978 -0.474007 -1.213309
C 6.574587 -0.410312 0.725137
C 5.826616 -0.896302 -1.546361
C 6.860768 -0.866117 -0.582391
H -4.253776 0.428189 1.628201
H -4.440167 1.509464 0.224648
H -7.776046 0.210164 -0.063880
H -6.914809 1.480865 0.839847
H -5.129537 -1.837664 1.319267
H -6.550197 -0.991019 1.978530
H -3.258577 -1.348627 0.022494
H -3.343087 -0.126986 -1.285066
H -7.566293 2.284591 -1.446605
H -6.691919 0.911005 -2.205664
H -5.786592 2.200209 -1.362885
H -7.184712 -3.219702 1.014313
H -6.487153 -2.760011 -0.575572
H -7.950466 -1.939603 0.037094
H -0.668558 1.920185 1.589794
H 3.666138 2.081631 1.717910
H 1.458709 2.973750 2.458063
H 5.058417 0.337884 2.083788
H 3.728531 -0.514749 -1.962749
H 7.361551 -0.397566 1.487749
H 6.034856 -1.252219 -2.561697
H 7.871282 -1.200252 -0.843205
H 0.775026 -1.442791 -1.113810


