%chk=000052611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052611

1 1
 O    1.109700     -0.2731000      -1.392600    
 N  -0.6248000      0.5611000      0.4953000    
 C   0.7883000      0.4972000      0.8591000    
 C   -2.742800     -0.5000000      0.3485000    
 C   -3.281500      0.6877000     -0.1925000    
 C   -1.388000     -0.5231000      0.6850000    
 C   -1.106100       1.700400     -1.5100000E-02
 C   -2.443600       1.795200     -0.3722000    
 C    1.615000      2.3600001E-02 -0.3125000    
 C   -3.571200      -1.617800      0.5330000    
 C   -4.642700      0.7268000     -0.5367000    
 C    3.093000     -8.6800002E-02 -0.1436000    
 C   -4.921000      -1.561500      0.1857000    
 C   -5.455700     -0.3916000     -0.3480000    
 C    3.645200      0.2470000       1.072300    
 C    3.848500     -0.5180000      -1.210400    
 C    5.027400      0.1440000       1.229900    
 C    5.230500     -0.6211000      -1.052600    
 C    5.819900     -0.2900000      0.1674000    
 H    1.098300       1.500700       1.170300    
 H   0.8878000     -0.1919000       1.704700    
 H  -0.9026000      -1.399900       1.099300    
 H  -0.4168000       2.527100     -0.1401000    
 H   -2.821900       2.725300     -0.7873000    
 H   -3.172200      -2.540700      0.9482000    
 H   -5.081300       1.630100     -0.9554000    
 H   -5.555300      -2.431000      0.3317000    
 H   -6.506900     -0.3492000     -0.6180000    
 H    3.068300      0.5873000       1.924400    
 H    3.410100     -0.7805000      -2.168100    
 H    5.487000      0.4013000       2.179800    
 H    5.848000     -0.9592000      -1.879800    
 H    6.896000     -0.3703000      0.2901000    


%chk=000052611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052611

1 1
O 0.889653 -0.978829 -0.820063
N -0.645527 0.636139 0.745168
C 0.792937 0.540809 1.084349
C -2.738510 -0.485382 0.258271
C -3.326302 0.781129 -0.137987
C -1.385633 -0.506238 0.682828
C -1.185729 1.864973 0.352544
C -2.498322 1.951226 -0.074529
C 1.563101 -0.281043 -0.009507
C -3.521615 -1.684692 0.209407
C -4.685025 0.810324 -0.570449
C 3.040430 -0.224538 -0.003862
C -4.848486 -1.624563 -0.219989
C -5.429922 -0.374505 -0.609759
C 3.779618 0.505315 0.972844
C 3.738733 -0.947051 -1.016497
C 5.187254 0.510564 0.934161
C 5.144224 -0.932774 -1.053529
C 5.870874 -0.204238 -0.079205
H 1.201412 1.557958 1.180596
H 0.912455 0.032458 2.058848
H -0.897444 -1.432376 0.990337
H -0.519994 2.727048 0.410105
H -2.895494 2.927062 -0.366584
H -3.072147 -2.639299 0.502827
H -5.136722 1.761126 -0.871464
H -5.453447 -2.535044 -0.263137
H -6.472105 -0.351503 -0.943423
H 3.275794 1.061929 1.771230
H 3.158525 -1.505944 -1.757677
H 5.753842 1.067499 1.686740
H 5.676763 -1.484499 -1.834234
H 6.965407 -0.193943 -0.108559


