%chk=000147080.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147080

0 1
 O   -2.208600      0.3884000     -0.8702000    
 O   -6.457800       2.020100      0.4893000    
 O   -8.148300      -1.678900      0.1581000    
 N    2.372700     -0.6248000      0.3471000    
 N    5.179200     -0.1549000      9.7999997E-02
 N    7.259400      0.1162000       1.258500    
 C    3.335200      -1.679400      0.6895000    
 C    2.894900      0.1881000     -0.7580000    
 C    4.675700      -1.080100       1.120900    
 C    4.221700      0.8492000     -0.3758000    
 C    1.079800      -1.207100     -1.0700000E-02
 C   6.1099999E-02 -0.1057000     -0.2860000    
 C    6.548500      0.1334000      8.8900000E-02
 C   -1.303000     -0.6822000     -0.6404000    
 C    7.159900      0.4355000      -1.135900    
 C    8.520000      0.7239000      -1.161200    
 C   -3.530400      0.1500000     -0.5967000    
 C    8.579300      0.4019000       1.194600    
 C    9.250300      0.7089000      2.1900000E-02
 C   -4.347300       1.198700     -0.1884000    
 C   -4.037800      -1.138400     -0.7318000    
 C   -5.691900      0.9520000      8.8799998E-02
 C   -6.207400     -0.3392000     -4.4700000E-02
 C   -5.382700      -1.388900     -0.4554000    
 C   -7.631900     -0.5743000      0.2541000    
 C   -8.408400      0.6055000      0.6810000    
 C   -7.782300       1.782100      0.7645000    
 H    3.492100      -2.352900     -0.1640000    
 H    2.949900      -2.286400       1.517700    
 H    3.032300     -0.4211000      -1.661500    
 H    2.233700       1.019200      -1.014500    
 H    4.563600     -0.5485000       2.074500    
 H    5.384800      -1.902500       1.278300    
 H    4.602500       1.386800      -1.251800    
 H    4.060300       1.593500      0.4148000    
 H    1.168000      -1.865000     -0.8851000    
 H   0.7129000      -1.820500      0.8218000    
 H  -3.6400001E-02  0.5584000      0.5825000    
 H   0.3413000      0.5316000      -1.130000    
 H   -1.229400      -1.292100      -1.548400    
 H   -1.626700      -1.312800      0.1980000    
 H    6.597900      0.4353000      -2.065200    
 H    9.010600      0.9567000      -2.101400    
 H    9.103300      0.3765000       2.144200    
 H    10.31150      0.9297000      2.5800001E-02
 H   -3.940500       2.201200     -8.6099997E-02
 H   -3.432700      -1.971600      -1.076400    
 H   -5.768200      -2.397900     -0.5706000    
 H   -9.459200      0.4913000      0.9144000    
 H   -8.276400       2.694700       1.068400    


%chk=000147080-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147080

0 1
O -2.316399 0.389779 0.108038
O -6.794844 1.996411 -0.026941
O -8.428920 -1.849674 -0.447480
N 2.522486 -0.461517 0.505195
N 5.343116 0.096459 0.240218
N 7.490599 -0.848018 0.433187
C 3.540101 -1.488433 0.857696
C 3.028882 0.392142 -0.596591
C 4.852645 -0.817167 1.292344
C 4.347354 1.087164 -0.194798
C 1.198204 -1.061767 0.217084
C 0.055376 -0.023717 0.248845
C 6.695806 0.142126 -0.101198
C -1.311377 -0.695008 0.100432
C 7.251348 1.144914 -0.964336
C 8.619893 1.088137 -1.279629
C -3.664818 0.047035 -0.001427
C 8.811511 -0.874078 0.112432
C 9.434421 0.060010 -0.742387
C -4.565301 1.134646 0.034776
C -4.147959 -1.289142 -0.141613
C -5.939803 0.871032 -0.070038
C -6.460016 -0.447113 -0.211334
C -5.528430 -1.515673 -0.244046
C -7.922989 -0.685819 -0.319268
C -8.736784 0.540282 -0.264853
C -8.167062 1.776588 -0.127087
H 3.747403 -2.174725 -0.002382
H 3.151498 -2.095855 1.696167
H 3.205287 -0.208810 -1.526379
H 2.282027 1.171399 -0.829988
H 4.668271 -0.242434 2.225207
H 5.640567 -1.561619 1.482247
H 4.718411 1.653756 -1.062807
H 4.137068 1.805981 0.626514
H 1.191775 -1.600116 -0.767904
H 1.009121 -1.825014 0.998023
H 0.097817 0.526041 1.205791
H 0.166404 0.717477 -0.563723
H -1.382856 -1.257823 -0.853534
H -1.512294 -1.388809 0.942671
H 6.641743 1.955855 -1.370392
H 9.052234 1.850551 -1.937522
H 9.388515 -1.687000 0.570335
H 10.502104 -0.008500 -0.967464
H -4.195125 2.156470 0.143431
H -3.457022 -2.135526 -0.170733
H -5.930939 -2.528364 -0.352735
H -9.823531 0.448373 -0.336977
H -8.710419 2.722693 -0.079667


