%chk=000115947.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115947

0 1
 O   -4.552600       1.815800       1.198800    
 O    7.324900       1.315300     -0.3304000    
 O   -6.241300       1.137800     -0.9018000    
 N  -0.6113000      -1.365800      0.5876000    
 N    2.087200     -0.5477000      0.1317000    
 C  -0.2620000     -0.5894000     -0.6082000    
 C   0.5037000      -2.248200      0.9535000    
 C   0.9775000      0.2740000     -0.3610000    
 C    1.767900      -1.439600       1.253600    
 C   -1.827200      -2.144900      0.3565000    
 C    3.401300     -8.0499999E-02  1.6500000E-02
 C   -3.000700      -1.269400      2.3900000E-02
 C    3.685900       1.299200      4.4399999E-02
 C    4.479400     -0.9758000     -0.1317000    
 C   -3.234900     -0.1213000      0.7714000    
 C   -3.840900      -1.615900      -1.027600    
 C    4.995700       1.765000     -7.1199998E-02
 C    5.789100     -0.5101000     -0.2474000    
 C   -4.325200      0.6921000      0.4629000    
 C   -4.931200     -0.8025000      -1.336000    
 C    6.047200      0.8603000     -0.2172000    
 C   -5.173300      0.3515000     -0.5908000    
 C   -3.936500       3.020800      0.7491000    
 C    8.352400      0.3362000     -0.4770000    
 C   -7.475100      0.8431000     -0.2496000    
 H   -1.059800      9.5500000E-02 -0.9135000    
 H  -7.2600000E-02  -1.259200      -1.458600    
 H   0.7111000      -2.967200      0.1493000    
 H   0.2463000      -2.825800       1.849600    
 H    1.247700      0.7605000      -1.306600    
 H   0.7409000       1.058700      0.3692000    
 H    1.625900     -0.8395000       2.161800    
 H    2.583100      -2.143800       1.455800    
 H   -2.087700      -2.708800       1.261800    
 H   -1.663300      -2.882500     -0.4408000    
 H    2.894000       2.033600      0.1693000    
 H    4.300000      -2.048100     -0.1709000    
 H   -2.591300      0.1490000       1.604700    
 H   -3.664200      -2.512300      -1.615400    
 H    5.191200       2.833500     -4.4300001E-02
 H    6.557800      -1.266900     -0.3609000    
 H   -5.587600      -1.073400      -2.158500    
 H   -4.288200       3.282200     -0.2540000    
 H   -2.846700       2.917900      0.7503000    
 H   -4.212800       3.824400       1.437100    
 H    8.234200     -0.2354000      -1.403900    
 H    8.420100     -0.3111000      0.4040000    
 H    9.303100      0.8741000     -0.5522000    
 H   -8.225100       1.559500     -0.5958000    
 H   -7.370900      0.9425000      0.8355000    
 H   -7.811500     -0.1669000     -0.5042000    


%chk=000115947-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115947

0 1
O -4.400987 1.773631 1.341857
O 7.475017 1.408992 -0.229663
O -6.530813 1.125008 -0.561363
N -0.585130 -1.510599 0.137048
N 2.182199 -0.706915 -0.121745
C -0.116057 -0.769476 -1.056426
C 0.502105 -2.372102 0.655110
C 1.102334 0.105510 -0.715275
C 1.717807 -1.510755 1.034350
C -1.848972 -2.246515 -0.099172
C 3.506892 -0.181639 -0.107662
C -3.055388 -1.324405 -0.250651
C 3.799357 1.143916 -0.553604
C 4.606178 -0.982903 0.313248
C -3.187568 -0.180830 0.573939
C -4.076953 -1.612644 -1.188052
C 5.119469 1.629316 -0.588177
C 5.930105 -0.495596 0.296685
C -4.319598 0.651934 0.479709
C -5.228624 -0.798024 -1.269920
C 6.195382 0.818117 -0.161098
C -5.369517 0.325369 -0.429099
C -4.425486 3.081692 0.647603
C 8.607250 0.593574 0.204734
C -7.378500 1.185487 0.652451
H -0.934905 -0.123531 -1.420117
H 0.162882 -1.473548 -1.881590
H 0.819984 -3.136512 -0.099207
H 0.139812 -2.903528 1.555224
H 1.469734 0.564322 -1.650015
H 0.778409 0.923675 -0.028492
H 1.429071 -0.843127 1.879607
H 2.529971 -2.166811 1.384917
H -2.005594 -2.907057 0.777977
H -1.786683 -2.917292 -0.994076
H 2.993570 1.816422 -0.860507
H 4.438777 -2.016233 0.634343
H -2.390401 0.077473 1.278121
H -3.979078 -2.481338 -1.850201
H 5.333466 2.646670 -0.930935
H 6.739371 -1.154483 0.626691
H -6.035036 -1.017620 -1.977131
H -5.270091 3.138103 -0.062715
H -3.471931 3.243391 0.109522
H -4.537810 3.834253 1.443022
H 8.715367 -0.316956 -0.418018
H 8.512014 0.300421 1.269520
H 9.492318 1.234669 0.076766
H -8.199943 1.874029 0.401770
H -6.805011 1.562974 1.518119
H -7.785064 0.181994 0.881377


