%chk=000060532.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060532

0 1
 O    2.536900       1.491000     -0.1401000    
 O   -4.782700       1.234300      0.1815000    
 N   -9.257800      -2.066700      0.2319000    
 C   -1.148900      0.8885000     -0.7101000    
 C   0.1284000       1.410600     -4.5600001E-02
 C   -2.394200       1.340700      5.0400000E-02
 C    1.383100      0.9991000     -0.8063000    
 C   -3.666800      0.7912000     -0.5781000    
 C    3.686500      0.7551000     -0.2678000    
 C    5.806200      1.2400000E-02  0.6443000    
 C    6.034300     -0.7459000     -0.5286000    
 C    4.622900      0.7600000      0.7596000    
 C    3.902500      1.4800000E-02  -1.420300    
 C    5.072300     -0.7340000      -1.551800    
 C   -5.885300      0.4199000      0.1941000    
 C    6.768000      3.9999999E-04   1.667700    
 C    7.217700      -1.493400     -0.6438000    
 C    7.938100     -0.7480000       1.536300    
 C    8.162500      -1.493300      0.3827000    
 C   -6.160300     -0.3826000     -0.9071000    
 C   -6.717200      0.4063000       1.307500    
 C   -7.283200      -1.210000     -0.8948000    
 C   -7.840100     -0.4212000       1.319900    
 C   -8.123000      -1.229400      0.2187000    
 H   -1.117000     -0.2069000     -0.7499000    
 H   -1.199200       1.249200      -1.744500    
 H   0.1937000       1.043000      0.9862000    
 H   9.5799997E-02   2.504900      2.8600000E-02
 H   -2.445100       2.436400      7.9300001E-02
 H   -2.337800       1.015600       1.096900    
 H    1.386100     -9.7499996E-02 -0.8625000    
 H    1.354100       1.411900      -1.821500    
 H   -3.590300     -0.3040000     -0.5847000    
 H   -3.764700       1.155800      -1.607300    
 H    4.430600       1.348900       1.654300    
 H    3.207200      1.1400000E-02  -2.254100    
 H    5.230300      -1.304600      -2.464800    
 H    6.613500      0.5756000       2.578300    
 H    7.414100      -2.083500      -1.536600    
 H    8.674000     -0.7485000       2.335200    
 H    9.073700      -2.075600      0.2810000    
 H   -5.548700     -0.3760000      -1.804100    
 H   -6.500300       1.034300       2.166900    
 H   -7.496800      -1.830800      -1.761300    
 H   -8.486700     -0.4274000       2.193600    
 H   -9.867700      -2.080000       1.038600    
 H   -9.464400      -2.652000     -0.5665000    


%chk=000060532-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000060532

0 1
O 2.551366 0.479132 0.538281
O -4.829629 0.488351 0.757029
N -10.205135 -0.591698 -0.678883
C -1.165562 0.049942 -0.187292
C 0.138942 0.471840 0.526335
C -2.423771 0.474619 0.603207
C 1.385581 0.028233 -0.242670
C -3.717743 0.038431 -0.089262
C 3.835559 0.162035 0.064803
C 6.253744 0.323052 0.472131
C 6.509745 -0.410138 -0.754460
C 4.906061 0.594898 0.857247
C 4.078814 -0.559832 -1.151452
C 5.391635 -0.834210 -1.541069
C -6.139650 0.179700 0.324548
C 7.373592 0.751848 1.264473
C 7.864639 -0.684679 -1.136904
C 8.681012 0.469229 0.865607
C 8.931844 -0.255672 -0.345316
C -6.457736 -0.519938 -0.863778
C -7.185062 0.620131 1.171605
C -7.807775 -0.774796 -1.195202
C -8.527355 0.366249 0.840732
C -8.865545 -0.338978 -0.352474
H -1.171386 -1.051572 -0.327730
H -1.195941 0.497320 -1.202932
H 0.172595 0.033446 1.541821
H 0.165875 1.571198 0.649554
H -2.439461 1.573884 0.730280
H -2.398737 0.034401 1.618368
H 1.410085 -1.076818 -0.350518
H 1.411624 0.484716 -1.254779
H -3.751416 -1.067129 -0.202279
H -3.801556 0.495862 -1.099108
H 4.692871 1.144619 1.779943
H 3.246645 -0.896407 -1.776365
H 5.576240 -1.386595 -2.470348
H 7.185066 1.306311 2.191570
H 8.050754 -1.239457 -2.064785
H 9.525702 0.801913 1.479324
H 9.963665 -0.469838 -0.644552
H -5.673489 -0.872321 -1.540878
H -6.925129 1.160736 2.087318
H -8.039177 -1.318540 -2.119576
H -9.323389 0.715559 1.509959
H -10.955874 -0.275433 -0.073589
H -10.448838 -1.093600 -1.526635


