%chk=000031944.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031944

0 1
 O   -1.881700       2.074400      0.8657000    
 O    4.636900      -1.978000      0.3582000    
 N   0.2336000      0.3102000       1.189600    
 N    2.931700      0.2695000      0.2527000    
 C   -3.381400      0.3410000      0.2302000    
 C   -5.566600      0.9729000     -0.8641000    
 C   -5.459600      -1.020100      0.6778000    
 C   -4.352300      -1.116800      -1.586800    
 C   -4.262400       1.511400     -0.2505000    
 C   -4.155700     -0.4738000       1.285300    
 C   -3.053200     -0.5694000     -0.9695000    
 C   -6.325400      0.1571000      0.1968000    
 C   -5.225000      6.0699999E-02  -2.055200    
 C   -5.118400      -1.921000     -0.5220000    
 C   -2.102900      0.8648000      0.8187000    
 C   -1.136100     -0.1808000       1.336300    
 C   0.5347000      0.5826000     -0.2211000    
 C    1.190600     -0.6661000       1.724900    
 C    1.947000       1.150500     -0.3826000    
 C    2.624100     -0.1389000       1.629200    
 C    4.276800      0.3451000     -0.1257000    
 C    5.125000     -0.7803000     -7.1900003E-02
 C    4.824700       1.563100     -0.5772000    
 C    6.463800     -0.6909000     -0.4532000    
 C    6.163400       1.652500     -0.9587000    
 C    6.982900      0.5254000     -0.8966000    
 C    4.085300      -2.845000     -0.6304000    
 H   -6.188800       1.808300      -1.203900    
 H   -6.006100      -1.597800       1.431500    
 H   -4.114700      -1.762500      -2.439600    
 H   -3.730200       2.116500     -0.9965000    
 H   -4.500900       2.184400      0.5839000    
 H   -4.382500      0.1522000       2.158300    
 H   -3.557900      -1.314600       1.658600    
 H   -2.434200      -1.429400     -0.6986000    
 H   -2.486400     -1.1200000E-02  -1.726500    
 H   -7.267000     -0.2179000     -0.2225000    
 H   -6.588400      0.7999000       1.045900    
 H   -6.147200     -0.3164000      -2.514200    
 H   -4.696800      0.6343000      -2.826700    
 H   -6.038800      -2.332400     -0.9544000    
 H   -4.513900      -2.773900     -0.1898000    
 H   -1.370100     -0.3205000       2.398600    
 H   -1.246200      -1.148000      0.8460000    
 H  -0.1464000       1.313500     -0.6678000    
 H   0.4454000     -0.3380000     -0.8148000    
 H    1.115700      -1.621200       1.187600    
 H   0.9689000     -0.8664000       2.780200    
 H    2.152900       1.249000      -1.455800    
 H    1.995100       2.150900      6.6500001E-02
 H    2.744000      0.7301000       2.289900    
 H    3.299100     -0.9113000       2.009000    
 H    4.222500       2.466800     -0.6271000    
 H    7.108600      -1.564300     -0.4066000    
 H    6.569000       2.600000      -1.301000    
 H    8.025600      0.5952000      -1.192600    
 H    4.849800      -3.128900      -1.360500    
 H    3.240600      -2.367600      -1.137000    
 H    3.726200      -3.748800     -0.1306000    


%chk=000031944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031944

0 1
O -1.774749 1.988062 -0.224870
O 5.023025 -1.916304 0.966482
N 0.339734 0.253266 0.600480
N 3.186536 0.158882 0.062080
C -3.544995 0.308576 -0.057899
C -5.985081 1.016361 -0.299294
C -5.421060 -1.195229 0.800313
C -5.095628 -0.900108 -1.696735
C -4.535816 1.509815 -0.052102
C -3.967703 -0.706846 1.049637
C -3.643757 -0.406745 -1.455716
C -6.391175 0.015694 0.816915
C -6.065587 0.310663 -1.680151
C -5.497032 -1.901762 -0.580271
C -2.092945 0.812738 0.096939
C -1.054181 -0.201088 0.609418
C 0.874250 0.522067 -0.756157
C 1.223946 -0.688462 1.329836
C 2.302940 1.085661 -0.678883
C 2.652891 -0.134924 1.421550
C 4.595287 0.316322 -0.070307
C 5.495983 -0.707449 0.380682
C 5.176714 1.467331 -0.676869
C 6.890751 -0.544415 0.286696
C 6.575839 1.611933 -0.797824
C 7.444812 0.616321 -0.299833
C 4.354405 -2.823138 0.008590
H -6.669698 1.887165 -0.287064
H -5.701851 -1.909797 1.599293
H -5.141550 -1.402797 -2.683340
H -4.230477 2.239295 -0.824006
H -4.470688 2.035181 0.921267
H -3.899977 -0.222244 2.044879
H -3.289471 -1.582556 1.061185
H -2.944810 -1.266506 -1.497503
H -3.346624 0.304567 -2.251161
H -7.431859 -0.331567 0.659183
H -6.358219 0.515740 1.805698
H -7.101764 -0.031683 -1.873994
H -5.798596 1.022741 -2.486426
H -6.525662 -2.273316 -0.758629
H -4.824059 -2.783186 -0.596984
H -1.333201 -0.441892 1.655476
H -1.203707 -1.156713 0.034452
H 0.226197 1.265484 -1.247374
H 0.888320 -0.413239 -1.375420
H 1.254786 -1.691921 0.829136
H 0.828250 -0.831022 2.353242
H 2.689780 1.210670 -1.705818
H 2.262888 2.087995 -0.192900
H 2.638036 0.797799 2.029634
H 3.310738 -0.868904 1.912728
H 4.528604 2.275224 -1.029621
H 7.524591 -1.354176 0.663673
H 6.983792 2.515624 -1.264585
H 8.531024 0.732032 -0.374921
H 5.071176 -3.149343 -0.769494
H 3.488136 -2.324788 -0.465244
H 4.025191 -3.690985 0.601332


