%chk=000147655.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147655

0 1
 O   -1.760100      -2.415800     -0.2596000    
 O    1.646000      -2.445200      0.2726000    
 N   -3.198800       3.499800     -0.7621000    
 N    3.336800       3.406000      0.7447000    
 N   -2.379100       2.088700      -2.434600    
 N    2.422100       2.050900       2.414400    
 C  -7.9800002E-02  -4.100800     -9.8000001E-03
 C   -1.117800      -3.245800      0.6982000    
 C   0.9862000      -3.256200     -0.6901000    
 C   -2.204100      -1.195100      0.1782000    
 C    2.152400      -1.250300     -0.1683000    
 C   -2.251800     -0.1234000     -0.7055000    
 C    2.230500     -0.1720000      0.7054000    
 C   -2.702400       1.119100     -0.2596000    
 C    2.744700       1.044300      0.2563000    
 C   -2.600800      -1.041800       1.501600    
 C    2.581700      -1.129200      -1.484900    
 C   -3.102200       1.281200       1.066800    
 C    3.177500       1.174000      -1.063400    
 C   -3.051400      0.2006000       1.947400    
 C    3.096000      8.7099999E-02  -1.933900    
 C   -2.754400       2.246000      -1.177700    
 C    2.828800       2.177700       1.163800    
 H  -0.5667000      -4.727700     -0.7657000    
 H   0.3897000      -4.762200      0.7276000    
 H   -1.867700      -3.896000       1.163300    
 H  -0.6143000      -2.669100       1.484500    
 H   0.5035000      -2.658400      -1.474000    
 H    1.722800      -3.919200      -1.158700    
 H   -1.932000     -0.2795000      -1.732400    
 H    1.883800     -0.3026000       1.727200    
 H   -2.606300      -1.864000       2.210600    
 H    2.563100      -1.957800      -2.186000    
 H   -3.461800       2.223600       1.464800    
 H    3.586500       2.095100      -1.463500    
 H   -3.369300      0.3247000       2.978600    
 H    3.439200      0.1858000      -2.959700    
 H   -3.504000       3.706800      0.1807000    
 H   -3.229500       4.273500      -1.418000    
 H    3.669400       3.588900     -0.1938000    
 H    3.389000       4.184600       1.393300    
 H   -2.488300       2.987000      -2.918300    
 H    2.561600       2.948700       2.891100    


%chk=000147655-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147655

0 1
O -1.839282 -1.620830 -0.337550
O 1.788632 -1.682546 0.344326
N -5.920599 2.679341 -1.610785
N 6.012742 2.485190 1.595231
N -5.222815 0.885135 -3.080515
N 5.253432 0.724118 3.074237
C -0.052310 -3.195933 0.006382
C -1.091810 -2.329239 0.720660
C 1.015945 -2.367747 -0.710997
C -2.852106 -0.731016 0.050299
C 2.830031 -0.828252 -0.047980
C -3.540168 -0.098143 -1.009418
C 3.539662 -0.213857 1.008331
C -4.578956 0.817655 -0.738606
C 4.607834 0.666014 0.732554
C -3.198080 -0.454769 1.398224
C 3.183659 -0.569566 -1.397427
C -4.939753 1.090309 0.610681
C 4.976082 0.920629 -0.618262
C -4.248008 0.453461 1.661284
C 4.262708 0.302323 -1.665453
C -5.271016 1.472847 -1.900444
C 5.321968 1.303337 1.890977
H -0.564868 -3.838930 -0.733209
H 0.438143 -3.853309 0.748334
H -1.789781 -2.955285 1.312368
H -0.594335 -1.598455 1.387861
H 0.543590 -1.621991 -1.379736
H 1.691283 -3.019394 -1.301312
H -3.284148 -0.318722 -2.049175
H 3.277458 -0.421055 2.049299
H -2.672208 -0.932053 2.229769
H 2.641610 -1.032977 -2.226426
H -5.782927 1.749222 0.845625
H 5.840124 1.550601 -0.856945
H -4.531369 0.655305 2.700293
H 4.551542 0.490029 -2.705598
H -5.775024 3.158460 -0.725132
H -6.445167 3.163944 -2.335830
H 5.884576 2.964091 0.706791
H 6.553358 2.955373 2.317971
H -5.700480 1.426201 -3.831310
H 5.749531 1.252484 3.822112


