%chk=000097054.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097054

0 1
 O   -2.691800      -1.460700      -1.058800    
 O   -1.422600       2.266600      0.5684000    
 O   -3.438500       3.208300      0.1246000    
 N    1.298400      0.9824000      -1.709400    
 N   -1.595600      -3.457900      0.7741000    
 N   -2.346600     -0.1621000      0.8307000    
 C   0.1512000      -2.266400     -0.5003000    
 C   0.8224000     -0.9525000     -0.7897000    
 C  -0.9901000      -2.148900      0.5226000    
 C    1.930300     -0.4266000     -9.9299997E-02
 C    2.215900      0.8018000     -0.6990000    
 C   0.4449000     -8.6400002E-02  -1.768800    
 C   -2.103100      -1.245600     -3.0000001E-04
 C    2.730800     -0.8582000      0.9770000    
 C    3.266200       1.623500     -0.2746000    
 C    3.784800     -4.6799999E-02   1.412300    
 C    4.046600       1.174600      0.7947000    
 C   -3.341200      0.8350000      0.5150000    
 C   -2.762000       2.219800      0.3807000    
 H   0.9011000      -2.981900     -0.1381000    
 H  -0.2284000      -2.681000      -1.444800    
 H  -0.5924000      -1.761200       1.467800    
 H  -0.3448000     -0.1185000      -2.506300    
 H    1.260900       1.787900      -2.318500    
 H    2.539600      -1.806600       1.470900    
 H    3.470600       2.574500     -0.7547000    
 H   -2.281900      -3.377900       1.523800    
 H  -0.8826000      -4.104300       1.110400    
 H    4.405300     -0.3743000       2.242300    
 H    4.870300       1.789000       1.149100    
 H   -1.815400     -4.9400002E-02   1.688900    
 H   -4.054300      0.8428000       1.344600    
 H   -3.857600      0.5834000     -0.4154000    
 H   -1.069000       3.176500      0.4728000    


%chk=000097054-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000097054

0 1
O -2.923106 -1.571933 -0.609621
O -0.517580 2.135335 1.261157
O -1.356707 2.820720 -0.802884
N 1.001590 0.833378 -1.957439
N -1.726093 -3.744144 0.786170
N -1.871264 -0.191772 0.952271
C 0.084205 -2.502698 -0.524007
C 0.667716 -1.156614 -0.870500
C -1.006162 -2.476250 0.628566
C 1.544384 -0.322494 -0.062403
C 1.723848 0.925736 -0.765978
C 0.358176 -0.410562 -2.009422
C -2.035021 -1.385866 0.279713
C 2.175729 -0.490737 1.199430
C 2.489083 1.991795 -0.238728
C 2.938672 0.567056 1.732916
C 3.091548 1.796872 1.024508
C -2.515420 1.054533 0.519941
C -1.442743 2.102280 0.213571
H 0.872617 -3.214592 -0.205514
H -0.412031 -2.935283 -1.412602
H -0.499568 -2.219679 1.580683
H -0.290851 -0.674099 -2.842608
H 0.858781 1.593982 -2.618817
H 2.075476 -1.431635 1.753428
H 2.631455 2.926316 -0.793102
H -2.493582 -3.837889 0.110545
H -1.128119 -4.573299 0.841044
H 3.428170 0.448383 2.705754
H 3.699905 2.597163 1.460500
H -1.106966 -0.097722 1.625647
H -3.194872 1.450589 1.299502
H -3.104833 0.847381 -0.386516
H 0.304963 2.644652 1.017494


