%chk=000120977.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120977

0 1
 O    8.436000     -0.6446000     -4.4500001E-02
 O   -6.013200      -2.079400     -0.4133000    
 O   -7.601900      7.2400004E-02  0.3407000    
 N   0.1530000      0.8612000      0.3282000    
 N    2.927300      0.1871000      0.2386000    
 C   0.9338000      0.7645000       1.567800    
 C   0.6502000     -0.1115000     -0.6522000    
 C    2.414200       1.052600       1.308000    
 C    2.121700      0.1462000     -0.9857000    
 C   -1.267000      0.6381000      0.5978000    
 C   -2.101600      0.8287000     -0.6692000    
 C    4.309200     -2.1100000E-02  0.1673000    
 C   -3.571100      0.6233000     -0.4000000    
 C    5.011900     -0.6005000       1.242800    
 C    5.039700      0.3412000     -0.9819000    
 C   -4.116600     -0.6444000     -0.5327000    
 C   -4.352300       1.705800     -2.4700001E-02
 C    6.389300     -0.8091000       1.171900    
 C    6.417100      0.1325000      -1.052900    
 C    7.091900     -0.4425000      2.4000000E-02
 C   -5.476000     -0.8344000     -0.2843000    
 C   -5.711500       1.515900      0.2237000    
 C   -6.273400      0.2459000      9.4200000E-02
 C    9.092400     -0.2454000      -1.246800    
 C   -6.011300      -2.909700      0.7464000    
 C   -8.491600      0.2273000     -0.7631000    
 H   0.5676000       1.493800       2.300500    
 H   0.8273000     -0.2323000       2.017000    
 H   0.5301000      -1.137700     -0.2795000    
 H   0.1265000     -4.3200001E-02  -1.608900    
 H    2.960300      0.9035000       2.246600    
 H    2.549700       2.102600       1.018100    
 H    2.466900     -0.6572000      -1.648500    
 H    2.217300       1.096800      -1.526300    
 H   -1.609700       1.357100       1.353600    
 H   -1.436300     -0.3634000       1.016600    
 H   -1.940900       1.832300      -1.085200    
 H   -1.832600      0.1272000      -1.465000    
 H    4.483300     -0.9062000       2.143000    
 H    4.549400      0.8034000      -1.835200    
 H   -3.497700      -1.488600     -0.8253000    
 H   -3.923400       2.698200      8.0799997E-02
 H    6.909100      -1.259800       2.012800    
 H    6.901400      0.4430000      -1.972400    
 H   -6.326500       2.361700      0.5193000    
 H    10.15540     -0.4795000      -1.127900    
 H    8.733900     -0.8167000      -2.109900    
 H    9.019100      0.8359000      -1.405300    
 H   -6.477000      -3.863900      0.4852000    
 H   -4.986300      -3.099900       1.080000    
 H   -6.589400      -2.447200       1.552500    
 H   -8.430900       1.243800      -1.164700    
 H   -8.263300     -0.5011000      -1.547500    
 H   -9.511000      5.1500000E-02 -0.4087000    


%chk=000120977-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120977

0 1
O 8.731229 -0.291092 0.078077
O -6.255474 -1.944619 -0.712071
O -7.746295 0.211002 0.598949
N 0.192376 0.633098 0.273476
N 3.051677 0.131034 0.235171
C 0.974531 0.566040 1.533035
C 0.801870 -0.268909 -0.733029
C 2.431297 0.983154 1.278231
C 2.266239 0.115616 -1.012650
C -1.250843 0.375595 0.493421
C -2.136496 0.853294 -0.689144
C 4.472601 0.070266 0.151231
C -3.616443 0.682191 -0.381746
C 5.263497 -0.072916 1.334030
C 5.161560 0.096917 -1.093131
C -4.286028 -0.529473 -0.684318
C -4.346197 1.709524 0.270904
C 6.660544 -0.181170 1.270920
C 6.569366 -0.029441 -1.163852
C 7.327632 -0.164307 0.020238
C -5.645852 -0.715703 -0.358907
C -5.712940 1.541810 0.581245
C -6.377837 0.340087 0.256932
C 9.450513 -0.277824 -1.193690
C -6.753348 -2.737169 0.436370
C -8.655825 0.045502 -0.559055
H 0.523439 1.258790 2.267664
H 0.962824 -0.464635 1.971190
H 0.769082 -1.334985 -0.388567
H 0.236304 -0.198994 -1.679141
H 3.000044 0.900494 2.217602
H 2.445352 2.052656 0.963169
H 2.695091 -0.637283 -1.697641
H 2.290237 1.107030 -1.525178
H -1.557488 0.930162 1.400806
H -1.458397 -0.707481 0.692614
H -1.894154 1.914615 -0.881386
H -1.876431 0.286639 -1.602668
H 4.779203 -0.130315 2.314175
H 4.610132 0.233815 -2.027785
H -3.760519 -1.356086 -1.176346
H -3.845891 2.652920 0.519972
H 7.256455 -0.297301 2.181718
H 7.052766 -0.005577 -2.145677
H -6.291359 2.336583 1.063601
H 10.512006 -0.394209 -0.928570
H 9.136102 -1.116832 -1.846493
H 9.304622 0.679864 -1.732482
H -7.231240 -3.624736 -0.005666
H -5.907226 -3.046248 1.079428
H -7.482573 -2.158473 1.031554
H -8.627238 0.949577 -1.196713
H -8.379196 -0.841610 -1.157085
H -9.660802 -0.076687 -0.126934


