%chk=000072991.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072991

0 1
 O    7.455300      0.4896000     -0.6743000    
 O    3.415400       1.611300       2.123800    
 O    5.713000       1.058700      -2.012400    
 O    4.542400      -4.417900     -0.6148000    
 O    5.298500      -3.830200       1.442100    
 O   -3.494000      -1.327500      -2.509500    
 N   -2.104000       2.845600     -0.8207000    
 N    3.940100      0.8522000     -4.0000002E-03
 N   -3.644100      0.6007000     -0.6678000    
 N   -4.819900     -3.4800000E-02   1.801300    
 N   -5.176500      -2.268200      0.9930000    
 N   -4.502800      -2.922100      -1.196400    
 N   -5.545000      -4.417900      0.2787000    
 C    5.280600      0.4169000      0.2968000    
 C   -3.233400       2.902500      5.4800000E-02
 C    5.335700      -1.035000      0.7872000    
 C   -3.761500       1.508700      0.3184000    
 C  -0.8114000       2.491300     -0.3815000    
 C    4.860100      -2.096700     -0.2128000    
 C   -4.287200       3.837500     -0.5350000    
 C    1.745800       1.793000      0.4872000    
 C    3.107800       1.421500      0.9498000    
 C  -0.5918000       2.178600      0.9600000    
 C   0.2475000       2.454900      -1.288700    
 C    6.134000      0.6819000     -0.9264000    
 C   0.6868000       1.829500       1.394300    
 C    1.526200       2.105800     -0.8543000    
 C   -4.338400       1.197000       1.530000    
 C   -4.128200     -0.6259000     -0.3863000    
 C   -4.712000     -0.9605000      0.8246000    
 C    4.922500      -3.510800      0.3229000    
 C   -4.016900      -1.651200      -1.447500    
 C   -5.044500      -3.178400     -3.2699998E-02
 H    5.664400       1.068800       1.092100    
 H   -2.951800       3.370500       1.006600    
 H    4.734300      -1.123800       1.701700    
 H    6.366300      -1.274000       1.080900    
 H   -2.234700       2.983000      -1.817200    
 H    3.820300      -1.897800     -0.4951000    
 H    5.483100      -2.056400      -1.113100    
 H    3.589300      0.6512000     -0.9347000    
 H   -4.655500       3.466200      -1.498700    
 H   -5.149600       3.931600      0.1342000    
 H   -3.874200       4.838600     -0.7013000    
 H   -1.373300       2.185900       1.711400    
 H   9.0200000E-02   2.703400      -2.335200    
 H   0.8377000       1.584100       2.442400    
 H    2.327900       2.120500      -1.586500    
 H   -4.438500       1.921400       2.329700    
 H   -5.602900      -2.511400       1.878100    
 H    8.008600      0.6771000      -1.462300    
 H    4.598400      -5.337300     -0.2774000    
 H   -5.962300      -4.608100       1.183300    
 H   -5.510200      -5.180700     -0.3888000    


%chk=000072991-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000072991

0 1
O 7.847886 0.906458 -0.021746
O 3.335942 0.800709 2.254006
O 6.243592 1.563195 -1.565680
O 5.481908 -4.083585 -1.228620
O 5.718090 -3.849230 1.069126
O -5.216470 -1.125189 -2.772537
N -2.046528 2.597720 -0.923253
N 4.192133 0.892012 0.104611
N -4.289138 0.700144 -0.741382
N -4.655100 -0.104374 1.967616
N -5.593971 -2.128645 1.207777
N -5.866640 -2.663685 -1.131260
N -6.524217 -4.186458 0.507188
C 5.537185 0.559504 0.582276
C -3.242234 2.829421 -0.097122
C 5.730643 -0.960765 0.873460
C -3.900822 1.501030 0.294757
C -0.804910 2.184490 -0.438762
C 5.504175 -1.838042 -0.368940
C -4.240011 3.712278 -0.878686
C 1.808391 1.403659 0.459020
C 3.141254 1.013460 1.009689
C -0.488329 2.146821 0.953899
C 0.211152 1.802670 -1.369098
C 6.534065 1.068175 -0.451106
C 0.792665 1.763478 1.381501
C 1.486844 1.423597 -0.927487
C -4.093094 1.093081 1.641782
C -4.858266 -0.499155 -0.450115
C -5.026222 -0.887976 0.918048
C 5.584147 -3.317980 -0.054116
C -5.316573 -1.428147 -1.555226
C -5.984383 -2.970079 0.156454
H 5.717186 1.086716 1.540718
H -2.938603 3.363511 0.822170
H 5.015259 -1.230785 1.668180
H 6.746164 -1.115668 1.277506
H -2.242478 2.413938 -1.910131
H 4.506161 -1.639749 -0.806859
H 6.235603 -1.625257 -1.172708
H 4.118603 1.236164 -0.856403
H -4.583834 3.181873 -1.784866
H -5.127243 3.939668 -0.262588
H -3.759656 4.661862 -1.170389
H -1.238517 2.416480 1.703277
H -0.017014 1.802806 -2.441913
H 1.038886 1.727112 2.448093
H 2.220297 1.115924 -1.682653
H -3.791981 1.731468 2.479082
H -5.692155 -2.375195 2.196904
H 8.472868 1.246647 -0.717975
H 5.523562 -5.049831 -0.991199
H -6.634255 -4.501721 1.467463
H -6.804420 -4.791655 -0.261884


