%chk=000095686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095686

0 1
 O    1.401200     -0.6083000     -0.1450000    
 O   -2.534100     -0.2053000       1.709100    
 O  -0.3239000     -0.4538000      -1.653300    
 O   -4.155300       1.334600      -1.113900    
 O   -5.998500       2.111900     -4.3400001E-02
 N  -0.5688000      -1.584000      0.3598000    
 N   -4.088800     -0.9506000      0.1506000    
 C    3.587500      0.3181000     -0.4030000    
 C    2.234000      0.1508000      -1.028600    
 C   -1.931700      -1.999500      0.2075000    
 C    3.837900       1.415800      0.4128000    
 C    4.579100     -0.6264000     -0.6442000    
 C   -2.851200     -0.9405000      0.7774000    
 C   -5.176400     -7.7000000E-02  0.5287000    
 C   0.1280000     -0.8441000     -0.5819000    
 C    5.096100       1.571400      0.9946000    
 C    5.837200     -0.4708000     -6.2199999E-02
 C    6.095600      0.6280000      0.7572000    
 C   -5.167800       1.229700     -0.2221000    
 H    2.322600     -0.3686000      -1.991000    
 H    1.778500       1.131500      -1.214900    
 H   -2.142000      -2.172500     -0.8526000    
 H   -2.075300      -2.930400      0.7635000    
 H    3.065900       2.155500      0.6064000    
 H    4.388100      -1.487200      -1.279000    
 H  -8.3899997E-02  -1.835400       1.216000    
 H   -4.253800      -1.597100     -0.6153000    
 H   -5.109700      0.1364000       1.599600    
 H   -6.108400     -0.6033000      0.3046000    
 H    5.297300       2.426600       1.633200    
 H    6.615400      -1.205600     -0.2464000    
 H    7.075000      0.7489000       1.210500    
 H   -4.171800       2.192600      -1.589100    


%chk=000095686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000095686

0 1
O 1.747596 -1.686670 -0.703268
O -2.545268 -1.651265 1.024436
O 0.955187 0.150329 -1.971787
O -5.981914 1.562288 -0.160936
O -7.318990 0.444800 1.383220
N -0.397171 -0.983750 -0.437715
N -3.882483 0.032644 0.155800
C 3.962830 -0.558602 -0.469036
C 3.109445 -1.490607 -1.303275
C -1.575386 -0.166657 -0.683187
C 3.938766 0.840874 -0.704910
C 4.796553 -1.071832 0.556749
C -2.700325 -0.663713 0.239865
C -5.027983 -0.347838 0.984327
C 0.774503 -0.754325 -1.108271
C 4.733150 1.709301 0.075910
C 5.591217 -0.204148 1.338843
C 5.561302 1.189548 1.098826
C -6.230711 0.557082 0.789270
H 3.517922 -2.513416 -1.321894
H 2.975643 -1.108229 -2.330023
H -1.364308 0.903987 -0.487073
H -1.896171 -0.235390 -1.742636
H 3.283408 1.235982 -1.489293
H 4.818894 -2.152598 0.744051
H -0.484338 -1.732270 0.258138
H -3.996739 0.833240 -0.470319
H -4.758322 -0.338178 2.058221
H -5.343642 -1.388170 0.772418
H 4.709034 2.788429 -0.113384
H 6.232557 -0.611359 2.128570
H 6.179339 1.864060 1.702450
H -6.785596 2.137852 -0.268488


