%chk=000152598.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000152598

0 1
 O   -7.575800     -0.3281000      0.1294000    
 N   0.7777000     -9.3699999E-02  -1.455500    
 N    4.148800      0.1248000       1.025700    
 N   -7.220100      0.5756000       2.214900    
 C    1.920800     -1.9500000E-02 -0.6140000    
 C    2.519000      -1.196200     -0.1521000    
 C    2.437900       1.229500     -0.2553000    
 C    3.646900      -1.075600      0.6772000    
 C    3.569000       1.255200      0.5779000    
 C    2.020700      -2.464700     -0.4969000    
 C    1.857000       2.428100     -0.7051000    
 C  -0.5955000     -0.1272000      -1.179800    
 C    4.246900      -2.243600       1.140300    
 C    4.088400       2.495700      0.9385000    
 C    2.638900      -3.617000     -2.0600000E-02
 C    2.395800       3.655300     -0.3303000    
 C    3.754300      -3.505800      0.7996000    
 C    3.513800       3.688700      0.4933000    
 C   -1.052100     -8.6199999E-02  0.1425000    
 C   -1.524400     -0.2019000      -2.224100    
 C   -3.339000     -0.1941000     -0.6289000    
 C   -2.419300     -0.1196000      0.4170000    
 C   -2.891600     -0.2353000      -1.949400    
 C   -4.764500     -0.2289000     -0.3426000    
 C   -5.339100      0.1792000      0.8112000    
 C   -6.814300      0.1055000      0.9871000    
 H    1.018500     -0.1269000      -2.441800    
 H    1.153300      -2.587900      -1.140200    
 H   0.9851000       2.438100      -1.354000    
 H    5.122300      -2.182900       1.784400    
 H    4.964100       2.548400       1.583000    
 H    2.252800      -4.595500     -0.2892000    
 H    1.946200       4.579600     -0.6798000    
 H    4.244500      -4.398700       1.176400    
 H    3.942300       4.641000      0.7915000    
 H  -0.3579000     -3.2499999E-02  0.9773000    
 H   -1.190800     -0.2344000      -3.258400    
 H   -2.719800     -0.1060000       1.460600    
 H   -3.593600     -0.2920000      -2.777900    
 H   -5.392500     -0.6089000      -1.145600    
 H   -4.765500      0.5908000       1.634100    
 H   -6.573800      0.9304000       2.912900    
 H   -8.202900      0.5824000       2.467500    


%chk=000152598-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000152598

0 1
O -7.713526 -0.643864 -0.122602
N 0.719199 0.577891 -1.396929
N 4.310300 0.074145 0.931482
N -7.506214 -1.050494 2.154228
C 1.867034 0.393277 -0.587651
C 2.155105 -0.849472 0.065702
C 2.814488 1.465886 -0.493483
C 3.388201 -0.936877 0.846431
C 4.043111 1.238276 0.259824
C 1.337741 -2.027757 -0.055732
C 2.603817 2.759632 -1.087507
C -0.635130 0.330960 -1.081520
C 3.689735 -2.163690 1.537783
C 5.024706 2.288849 0.326285
C 1.675859 -3.203898 0.608579
C 3.573769 3.756104 -0.996151
C 2.853023 -3.269005 1.430314
C 4.803574 3.514122 -0.294626
C -1.077293 0.061917 0.247234
C -1.602522 0.402323 -2.123380
C -3.421663 -0.081614 -0.523671
C -2.439492 -0.142203 0.509905
C -2.963776 0.203397 -1.843241
C -4.853534 -0.286582 -0.298882
C -5.488797 -0.581034 0.876870
C -6.968958 -0.753203 0.903523
H 0.873256 1.100884 -2.261968
H 0.444083 -2.001066 -0.684692
H 1.654463 2.982922 -1.587722
H 4.609937 -2.183970 2.129470
H 5.939367 2.077332 0.888378
H 1.044147 -4.091916 0.497967
H 3.393237 4.738044 -1.446926
H 3.096041 -4.199322 1.955203
H 5.557423 4.306739 -0.236817
H -0.352057 0.028106 1.065250
H -1.279093 0.605455 -3.151831
H -2.748028 -0.340663 1.542272
H -3.694800 0.261045 -2.658547
H -5.511482 -0.196265 -1.176541
H -4.937270 -0.699269 1.819097
H -6.930692 -1.142371 2.988981
H -8.514790 -1.177572 2.226443


