%chk=000048120.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048120

0 1
 O  -0.5695000     -0.9056000      0.9538000    
 O   0.2815000     -0.4828000       3.059400    
 N   -3.099900      -1.176000     -0.3232000    
 C    1.323900      0.4890000       1.096400    
 C   0.5795000       1.587300      0.3305000    
 C    2.156900     -0.4446000      0.2123000    
 C   0.8860000       1.882000      -1.007600    
 C    2.443200     -0.1239000      -1.124100    
 C    1.978100       1.162000      -1.748100    
 C    2.264100       1.158200       2.121000    
 C   0.2999000     -0.3474000       1.843400    
 C  -0.4183000       2.351100      0.9718000    
 C    2.682600      -1.642600      0.7400000    
 C   0.1984000       2.913100      -1.672500    
 C    3.231900     -0.9930000      -1.899200    
 C   -1.100600       3.365800      0.2997000    
 C    3.455800      -2.502500     -4.0500000E-02
 C  -0.7931000       3.646000      -1.025000    
 C    3.729400      -2.178000      -1.362700    
 C   -1.593400      -1.725200       1.526300    
 C   -2.469500      -2.265500      0.4073000    
 C   -3.906100     -0.3472000      0.5763000    
 C   -3.930700      -1.694800      -1.412600    
 C   -4.513600      0.8334000     -0.1620000    
 C   -3.116400      -2.558800      -2.360500    
 H    1.615800      0.9395000      -2.760400    
 H    2.840000       1.836000      -1.831900    
 H    2.801100      0.4224000       2.732000    
 H    3.019000       1.777300       1.620100    
 H    1.720200       1.808700       2.816800    
 H  -0.6740000       2.163600       2.012300    
 H    2.496800      -1.918600       1.775600    
 H   0.4403000       3.151900      -2.705800    
 H    3.465500     -0.7429000      -2.931600    
 H   -1.867900       3.936900      0.8139000    
 H    3.846800      -3.420700      0.3876000    
 H   -1.317500       4.437400      -1.551800    
 H    4.335100      -2.840500      -1.973500    
 H   -1.103500      -2.580700       2.009700    
 H   -2.138500      -1.195600       2.313200    
 H   -1.801200      -2.834300     -0.2479000    
 H   -3.210400      -2.959900      0.8228000    
 H   -4.695700     -0.9251000       1.072500    
 H   -3.289700      0.1103000       1.354700    
 H   -4.787500      -2.268000      -1.036800    
 H   -4.322000     -0.8744000      -2.022900    
 H   -4.906400       1.556700      0.5618000    
 H   -5.355500      0.5417000     -0.7972000    
 H   -3.770200       1.356600     -0.7734000    
 H   -3.689700      -2.735200      -3.277900    
 H   -2.892400      -3.544700      -1.941400    
 H   -2.179300      -2.071900      -2.652300    


%chk=000048120-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048120

0 1
O -0.331649 -1.519735 0.073023
O -0.518974 -0.650343 2.224338
N -3.389517 -1.179673 0.211834
C 0.974688 0.463629 0.577033
C 0.469490 1.176119 -0.693833
C 2.338011 -0.226043 0.345111
C 1.405626 1.747641 -1.594591
C 3.257530 0.327357 -0.583543
C 2.898819 1.581574 -1.362605
C 1.144855 1.530901 1.706202
C -0.043148 -0.590957 1.065446
C -0.917294 1.364818 -0.920562
C 2.722382 -1.356905 1.108108
C 0.940577 2.492995 -2.705599
C 4.525822 -0.279934 -0.753522
C -1.369910 2.124136 -2.020349
C 3.991537 -1.949398 0.942231
C -0.438956 2.694663 -2.918679
C 4.899196 -1.411923 0.000918
C -1.285991 -2.611495 0.412862
C -2.649203 -2.377680 -0.253147
C -3.770266 -1.272891 1.652934
C -4.577552 -0.901242 -0.649925
C -4.332922 0.039916 2.229801
C -4.251357 -0.682913 -2.140189
H 3.435985 1.595583 -2.329185
H 3.273550 2.466116 -0.800673
H 1.490204 1.055297 2.639138
H 1.885717 2.287554 1.394478
H 0.185284 2.036916 1.906882
H -1.654581 0.890936 -0.259264
H 2.027949 -1.779151 1.844369
H 1.670230 2.920586 -3.404738
H 5.226521 0.144428 -1.483433
H -2.445061 2.268606 -2.177477
H 4.269380 -2.824553 1.540065
H -0.784577 3.280596 -3.777727
H 5.884204 -1.869746 -0.142818
H -0.828423 -3.521576 -0.010944
H -1.346419 -2.701753 1.510350
H -2.472458 -2.274693 -1.336652
H -3.241261 -3.322744 -0.104844
H -4.507040 -2.103274 1.816712
H -2.859145 -1.516725 2.224102
H -5.339189 -1.720295 -0.553231
H -5.049851 0.017198 -0.260851
H -4.432531 -0.051261 3.326763
H -5.328454 0.297609 1.827616
H -3.639447 0.873140 2.018463
H -5.130029 -0.247575 -2.650757
H -4.000877 -1.620340 -2.667447
H -3.402174 0.013003 -2.253791


