%chk=000114667.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114667

0 1
 O   -2.821600      0.6752000      0.6645000    
 O  -0.4694000      -2.772700       1.567200    
 O   -2.515200      7.3000002E-03  -1.511500    
 O   0.5534000      -3.911100     -0.1083000    
 N   -1.205800     -0.8221000      0.2153000    
 N    3.854900      0.7630000      0.5291000    
 N    5.409800       1.642900      -1.076500    
 N    5.780100       1.889200       1.158900    
 C   0.8938000     -0.9994000      -1.076400    
 C  -0.3662000      -1.699600     -0.5602000    
 C   -3.888900       1.532700      0.2449000    
 C    1.809400     -0.4571000      2.7600000E-02
 C    3.017900      0.2618000     -0.5623000    
 C   -4.971100      0.6764000     -0.4113000    
 C   -4.435700       2.229400       1.489000    
 C   -3.330900       2.556500     -0.7427000    
 C   -2.209600     -4.2199999E-02 -0.3246000    
 C  -4.5000002E-02  -2.918100      0.2846000    
 C    4.939900       1.388000      0.1927000    
 H   0.5965000     -0.1699000      -1.730800    
 H    1.465300      -1.702200      -1.695900    
 H  -0.9570000      -2.054800      -1.413300    
 H    2.152800      -1.275900      0.6712000    
 H    1.256500      0.2383000      0.6708000    
 H   -1.045200     -0.7525000       1.216100    
 H    2.674100       1.093500      -1.189200    
 H    3.584700     -0.4399000      -1.186400    
 H   -5.167400     -0.2274000      0.1772000    
 H   -5.909900       1.238400     -0.4854000    
 H   -4.741700      0.3547000      -1.430200    
 H   -3.648500       2.805100       1.989100    
 H   -4.793300       1.494800       2.219600    
 H   -5.260600       2.907700       1.247800    
 H   -3.141000       2.165400      -1.745300    
 H   -4.038500       3.383300     -0.8770000    
 H   -2.387200       2.978500     -0.3777000    
 H  -0.2455000      -3.553600       2.117000    
 H    4.912400       1.344100      -1.907700    
 H    6.279000       2.145400      -1.220700    
 H    6.633300       2.380900      0.9168000    
 H    5.568400       1.780100       2.144800    


%chk=000114667-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000114667

0 1
O -2.862112 0.606457 0.617333
O -0.251407 -2.911722 1.754328
O -2.255007 -0.045067 -1.591646
O 0.648240 -4.063050 -0.051234
N -1.269642 -0.970937 0.315921
N 3.826357 0.775457 0.464924
N 5.293744 1.796984 -1.170805
N 5.686492 2.015095 1.147360
C 0.863510 -1.152939 -1.037604
C -0.395259 -1.867307 -0.445102
C -3.898208 1.628296 0.172113
C 1.802308 -0.547701 0.023637
C 2.975756 0.226800 -0.607515
C -5.017045 0.916520 -0.615020
C -4.410063 2.165123 1.520303
C -3.207583 2.734155 -0.651680
C -2.140612 -0.125326 -0.335658
C 0.047871 -3.062392 0.390182
C 4.878347 1.490723 0.135179
H 0.483794 -0.365583 -1.715875
H 1.405872 -1.893082 -1.657660
H -0.969489 -2.265962 -1.303927
H 2.226692 -1.336565 0.674674
H 1.247323 0.145909 0.682723
H -1.252594 -0.994210 1.336182
H 2.555233 1.028858 -1.264720
H 3.540524 -0.469166 -1.276949
H -5.437428 0.086622 -0.019517
H -5.830085 1.634273 -0.829540
H -4.633846 0.517264 -1.567084
H -3.584092 2.616239 2.096743
H -4.849416 1.349679 2.120417
H -5.183977 2.934822 1.350149
H -2.826694 2.333505 -1.604163
H -3.933403 3.539520 -0.868008
H -2.367576 3.170163 -0.082122
H 0.090919 -3.697314 2.259576
H 4.754430 1.445476 -1.955293
H 6.117938 2.357376 -1.369086
H 6.511483 2.577220 0.967775
H 5.405705 1.809887 2.101492


