%chk=000131262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131262

0 1
 O    5.813200      -1.195200      -1.351100    
 O    1.614100       1.116100       1.168200    
 N    4.246000      0.4356000      0.3768000    
 N   0.9929000      -1.320900     -7.2400004E-02
 N   0.7861000      -2.059800      0.9143000    
 N   0.6035000      -2.739200       1.813000    
 C    4.152800      0.5533000      -1.085000    
 C    5.588900     -2.1500001E-02  0.7605000    
 C    3.927000       1.707900       1.021200    
 C    4.501200     -0.7827000      -1.735000    
 C    5.904200      -1.343400      6.6299997E-02
 C    2.500100       2.126800      0.7052000    
 C   0.4320000      0.9726000      0.4898000    
 C   -1.977400      0.7171000     -0.8770000    
 C   -3.268500      0.5804000      -1.610600    
 C   0.1143000     -0.2324000     -0.1279000    
 C  -0.4446000       2.051100      0.4297000    
 C   -1.093900     -0.3605000     -0.8133000    
 C   -1.652700       1.922800     -0.2556000    
 C   -4.415600      9.0000004E-02 -0.7499000    
 C   -5.204400       1.014100     -8.9000002E-02
 C   -4.646600      -1.269700     -0.6465000    
 C   -6.260400      0.5629000      0.7028000    
 C   -5.702700      -1.720800      0.1454000    
 C   -6.509500     -0.8044000      0.8201000    
 H    3.141900      0.8014000      -1.418700    
 H    4.838000       1.328700      -1.451400    
 H    5.646100     -0.1681000       1.845100    
 H    6.340500      0.7270000      0.4779000    
 H    4.623200       2.501000      0.7214000    
 H    4.013500       1.582800       2.108000    
 H    3.779400      -1.564400      -1.468500    
 H    4.491000     -0.6810000      -2.825100    
 H    6.926800      -1.654300      0.3034000    
 H    5.229600      -2.143600      0.3947000    
 H    2.280800       3.044700       1.265000    
 H    2.350100       2.365500     -0.3538000    
 H   -3.541700       1.540700      -2.070100    
 H   -3.142100     -9.4099998E-02  -2.469200    
 H  -0.2084000       2.993100      0.9164000    
 H   -1.343100      -1.301500      -1.298700    
 H   -2.332000       2.770100     -0.2962000    
 H   -5.019000       2.080700     -0.1745000    
 H   -4.024500      -1.991000      -1.168200    
 H   -6.888700       1.276300       1.228100    
 H   -5.896900      -2.785500      0.2368000    
 H   -7.331600      -1.155700       1.436600    


%chk=000131262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131262

0 1
O 6.737250 0.288878 -1.554097
O 1.600928 -0.120648 0.780682
N 4.485700 0.538371 0.246737
N 0.648049 -2.594301 -0.224670
N 1.866393 -2.650679 0.111348
N 2.981609 -2.963479 0.366898
C 4.996359 1.710765 -0.501411
C 5.565550 -0.445046 0.510604
C 3.687761 0.894092 1.435232
C 5.651630 1.246269 -1.813739
C 6.206333 -0.874520 -0.818500
C 2.219921 1.176653 1.098686
C 0.303901 -0.140633 0.265357
C -2.333590 -0.430167 -0.791724
C -3.727978 -0.580233 -1.399147
C -0.142469 -1.408420 -0.220025
C -0.571247 0.967448 0.210683
C -1.454098 -1.534294 -0.734089
C -1.873807 0.821943 -0.312326
C -4.860061 0.047643 -0.586958
C -5.796573 0.915621 -1.201707
C -5.016868 -0.250367 0.792229
C -6.867753 1.470316 -0.462772
C -6.084756 0.299839 1.533533
C -7.016341 1.163065 0.908435
H 4.158650 2.394696 -0.739593
H 5.746516 2.286713 0.099967
H 5.125678 -1.333188 0.999465
H 6.359000 -0.024320 1.178579
H 4.100234 1.784769 1.973589
H 3.712100 0.048717 2.146936
H 4.881757 0.775654 -2.462639
H 6.122129 2.090406 -2.344957
H 7.071916 -1.535696 -0.649482
H 5.448298 -1.398165 -1.438706
H 1.700640 1.628835 1.969465
H 2.125580 1.855634 0.227597
H -3.733350 -0.134142 -2.413844
H -3.934571 -1.659762 -1.540540
H -0.246151 1.943290 0.584041
H -1.766159 -2.519867 -1.096087
H -2.544338 1.687946 -0.336027
H -5.687876 1.158469 -2.266445
H -4.293400 -0.912091 1.283764
H -7.581906 2.139697 -0.955927
H -6.192504 0.056591 2.596861
H -7.845183 1.590694 1.483726


