%chk=000096142.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096142

0 1
 O   -1.238200      -1.284100       2.422600    
 O    3.027000      -2.047300     -0.8794000    
 O    2.377300       2.422400      0.7123000    
 O    3.974300      0.5315000     -0.5294000    
 N   -2.234700     -0.6993000      0.3903000    
 N   -4.527900      0.3640000     -0.9567000    
 C   -3.583500      -1.058200      0.8224000    
 C   -2.134900     -0.2640000      -1.007100    
 C   -4.588400      3.9400000E-02  0.4760000    
 C   -3.176800      0.8106000      -1.325400    
 C   -1.162400     -0.8567000       1.271600    
 C   -5.517000       1.387100      -1.293600    
 C   0.1812000     -0.4939000      0.8011000    
 C   0.6504000      0.8048000      0.9803000    
 C   0.9786000      -1.450300      0.1779000    
 C    2.254200      -1.105800     -0.2691000    
 C    1.925900       1.149400      0.5332000    
 C    2.727900      0.1942000     -9.1499999E-02
 C    2.908500      -2.164100      -2.295900    
 C    2.107700       3.358200     -0.3295000    
 C    5.050900      0.3621000      0.3899000    
 H   -3.605000      -1.253300       1.899600    
 H   -3.846800      -1.994700      0.3154000    
 H   -2.300200      -1.152000      -1.629700    
 H   -1.138400      0.1157000      -1.243400    
 H   -5.592300     -0.3149000      0.7387000    
 H   -4.382500      0.9310000       1.083100    
 H   -2.918800       1.736100     -0.7932000    
 H   -3.133300       1.025700      -2.399800    
 H   -5.343200       2.325700     -0.7551000    
 H   -6.527900       1.036500      -1.058100    
 H   -5.500600       1.598100      -2.368600    
 H   2.7200000E-02   1.551300       1.466800    
 H   0.6116000      -2.464300      3.8100000E-02
 H    3.589600      -2.950200      -2.633100    
 H    3.187900      -1.225500      -2.784800    
 H    1.886900      -2.442800      -2.573400    
 H    1.028400       3.478400     -0.4670000    
 H    2.572300       3.036100      -1.266800    
 H    2.533500       4.323300     -4.1800000E-02
 H    5.146500     -0.6884000      0.6820000    
 H    4.902400      0.9864000       1.276600    
 H    5.975400      0.6724000     -0.1048000    


%chk=000096142-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000096142

0 1
O -1.373299 -2.240293 1.587992
O 3.431999 -2.118051 -0.362514
O 1.707103 2.520579 -0.035357
O 3.944351 0.719612 -0.455256
N -2.467899 -0.814628 0.106745
N -4.813315 0.708316 -0.551891
C -3.791791 -1.238933 0.612598
C -2.550631 -0.083607 -1.175760
C -4.712658 -0.011167 0.741990
C -3.479141 1.137529 -1.031783
C -1.314573 -1.334380 0.693155
C -5.782219 1.819905 -0.506104
C 0.022882 -0.769835 0.276932
C 0.254485 0.623573 0.183559
C 1.094902 -1.672074 0.081455
C 2.381675 -1.183704 -0.212667
C 1.550739 1.123529 -0.077993
C 2.635550 0.218840 -0.255913
C 4.106551 -2.098811 -1.681265
C 2.426505 3.162067 -1.158261
C 4.860199 0.460682 0.686591
H -3.641875 -1.739903 1.582098
H -4.244141 -1.965201 -0.092775
H -2.979053 -0.761358 -1.943534
H -1.547672 0.224307 -1.504305
H -5.724319 -0.346174 1.037543
H -4.319966 0.653015 1.554574
H -3.005163 1.879032 -0.335734
H -3.598002 1.625970 -2.017135
H -5.499252 2.626394 0.216930
H -6.775749 1.434151 -0.215329
H -5.873283 2.276094 -1.508267
H -0.545135 1.349003 0.362549
H 0.937858 -2.750079 0.173887
H 4.902161 -2.855968 -1.611503
H 4.535154 -1.102862 -1.892431
H 3.390111 -2.379151 -2.476744
H 1.873693 3.002296 -2.104520
H 3.451428 2.767364 -1.247817
H 2.438758 4.234268 -0.910080
H 4.945867 -0.624608 0.872064
H 4.488146 0.974992 1.591327
H 5.831816 0.879869 0.383648


