%chk=000053202.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053202

0 1
 O   0.6276000       1.701500       1.122000    
 O  -0.5914000       3.192400     -0.1392000    
 O   -4.595100      0.3411000      -1.405300    
 O   -1.792200      -2.475400       1.267500    
 O   -4.104900      -2.108600     -0.2115000    
 N    3.837800      -1.336000     -0.1540000    
 N    5.468100     -0.8618000      -1.853400    
 N    4.930200      -3.010800      -1.316700    
 C    1.871100       2.336700      0.8318000    
 C    3.651600      0.1029000      5.8100000E-02
 C    2.226400       2.071800     -0.6315000    
 C    2.952500       1.814100       1.779000    
 C    2.559300      0.6011000     -0.8869000    
 C    3.281300      0.3434000       1.520900    
 C  -0.4321000       2.090000      0.3616000    
 C    4.697900      -1.680500      -1.057700    
 C   -1.404200      0.9781000      0.2095000    
 C   -1.133900     -0.2321000      0.8152000    
 C   -2.548300       1.189100     -0.5326000    
 C   -3.461800      0.1448000     -0.6752000    
 C   -2.047300      -1.276600      0.6726000    
 C   -3.211400      -1.088200     -7.2800003E-02
 C   -4.775400       1.630300      -1.987900    
 C  -0.5801000      -2.584800       2.011100    
 C   -5.425800      -1.882600      0.2753000    
 H    1.756800       3.414700       1.001200    
 H    4.575100      0.6694000     -0.1124000    
 H    3.106000       2.675600     -0.8906000    
 H    1.436800       2.375700      -1.325100    
 H    3.862900       2.414500       1.661700    
 H    2.618600       1.920300       2.817800    
 H    2.875700      0.4825000      -1.930000    
 H    1.655400     -1.0200000E-02 -0.7725000    
 H    4.107500      3.2400001E-02   2.171800    
 H    2.421600     -0.2807000       1.798100    
 H  -0.2243000     -0.3515000       1.388000    
 H   -2.694000       2.165600     -0.9794000    
 H    6.116200      -1.258400      -2.525700    
 H    5.406600      0.1489000      -1.836500    
 H    4.436200      -3.736900     -0.8095000    
 H    5.598300      -3.305500      -2.020400    
 H   -5.726100       1.607500      -2.530800    
 H   -4.865600       2.410000      -1.223900    
 H   -3.995600       1.853900      -2.724000    
 H  -0.5403000      -3.603300       2.411500    
 H   0.3006000      -2.463200       1.370900    
 H  -0.5704000      -1.907100       2.871700    
 H   -5.812500      -2.833700      0.6533000    
 H   -5.446200      -1.155900       1.095100    
 H   -6.075300      -1.554500     -0.5410000    


%chk=000053202-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053202

0 1
O 0.703403 1.288273 0.455396
O -0.572881 2.936491 -0.600483
O -5.231504 0.601371 -0.925149
O -2.431217 -2.657696 1.184894
O -4.802746 -1.948720 0.185586
N 4.579130 -1.213877 -0.157560
N 6.477685 -0.613307 -1.572932
N 6.183176 -2.805182 -0.798710
C 1.913149 2.180975 0.386763
C 4.125085 0.182929 -0.015198
C 2.593992 2.005178 -0.985254
C 2.820508 1.746420 1.547709
C 3.163054 0.580391 -1.171695
C 3.396699 0.326944 1.343060
C -0.481780 1.787084 -0.091701
C 5.677172 -1.493251 -0.819453
C -1.599373 0.808578 0.009408
C -1.413507 -0.477958 0.568403
C -2.863199 1.205266 -0.485694
C -3.951045 0.310535 -0.422969
C -2.504958 -1.371089 0.641422
C -3.793330 -0.987141 0.153539
C -5.407393 1.889957 -1.602585
C -1.118061 -3.104426 1.659671
C -6.085190 -1.586131 0.826920
H 1.556139 3.220439 0.506489
H 4.977835 0.914815 -0.017212
H 3.412475 2.752896 -1.046118
H 1.875470 2.253265 -1.787296
H 3.647025 2.483761 1.617604
H 2.255595 1.803393 2.496522
H 3.683516 0.506070 -2.147051
H 2.337361 -0.155691 -1.195195
H 4.097144 0.072902 2.160046
H 2.582875 -0.421516 1.370565
H -0.425141 -0.749507 0.942649
H -2.953272 2.204562 -0.919661
H 7.472469 -0.803581 -1.677684
H 6.162151 0.341822 -1.716391
H 5.655203 -3.450445 -0.212645
H 6.616384 -3.182231 -1.641141
H -6.451876 1.891027 -1.947403
H -5.239935 2.736325 -0.909164
H -4.725350 1.980375 -2.469224
H -1.281990 -4.130905 2.018617
H -0.372718 -3.107390 0.841121
H -0.751186 -2.471220 2.491027
H -6.688703 -2.504979 0.779834
H -5.914903 -1.301952 1.882829
H -6.579535 -0.763849 0.284693


