%chk=000034413.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034413

0 1
 O    2.126400      1.2000001E-03 -0.7859000    
 O   -3.742300     -0.2706000     -8.8000000E-03
 O    1.212600     -5.2000000E-03   1.358700    
 O    2.971500       3.942900     -0.3948000    
 O    1.584100       2.356300      -1.023900    
 N    3.922700      -1.894100      1.5900001E-02
 N    2.672900       2.733800     -0.5320000    
 C    4.229200     -0.5907000      0.1582000    
 C    5.456900     -0.1709000      0.7118000    
 C    3.324400      0.3872000     -0.2456000    
 C    3.609400       1.748500     -0.1129000    
 C    5.743900       1.198300      0.8454000    
 C    4.820600       2.154900      0.4332000    
 C  -0.1544000     -0.5799000     -0.5080000    
 C    6.368200      -1.154900       1.118400    
 C   -2.543400     -0.6131000     -0.5546000    
 C   -4.915700     -0.7048000     -0.6947000    
 C   -1.357100     -0.2205000      6.5099999E-02
 C   -6.125200     -0.2056000      3.9700001E-02
 C    1.108600     -0.1623000      0.1515000    
 C  -8.6400002E-02  -1.315100      -1.673900    
 C    6.055200      -2.498700      0.9731000    
 C   -2.501200      -1.356800      -1.733900    
 C    4.829900      -2.812300      0.4208000    
 C   -1.272600      -1.707800      -2.293600    
 C   -6.694600     -0.9863000       1.039500    
 C   -6.666100       1.033000     -0.2865000    
 C   -7.819200     -0.5225000       1.721900    
 C   -7.790800       1.496900      0.3960000    
 C   -8.367300      0.7192000       1.400200    
 H    6.689300       1.526500       1.271700    
 H    5.083800       3.202100      0.5549000    
 H    7.327300     -0.8792000       1.550700    
 H   -4.958100      -1.801400     -0.7374000    
 H   -4.943400     -0.3032000      -1.716400    
 H   -1.396500      0.3618000      0.9815000    
 H   0.8566000      -1.613300      -2.122200    
 H    6.747900      -3.272600       1.282100    
 H   -3.380400      -1.699200      -2.268400    
 H    4.530400      -3.846000      0.2827000    
 H   -1.238800      -2.290200      -3.209900    
 H   -6.274800      -1.953900       1.300200    
 H   -6.224100       1.648600      -1.065100    
 H   -8.267800      -1.127700       2.504300    
 H   -8.217200       2.464100      0.1460000    
 H   -9.242700       1.080600       1.931800    


%chk=000034413-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034413

0 1
O 2.219876 0.307783 -0.965748
O -3.761486 -0.295564 -0.173891
O 1.088585 0.764676 1.037379
O 4.636904 3.351863 -2.287371
O 2.492921 2.946757 -1.621141
N 3.208788 -1.585622 0.797905
N 3.755513 2.697749 -1.600178
C 4.006606 -0.492844 0.502091
C 5.343122 -0.325880 1.028321
C 3.467085 0.514969 -0.376359
C 4.262532 1.619520 -0.718658
C 6.122815 0.811598 0.640233
C 5.598139 1.760042 -0.229565
C -0.160754 -0.024124 -0.916494
C 5.827493 -1.337926 1.919677
C -2.583715 -0.360206 -0.932969
C -5.034372 -0.648827 -0.858800
C -1.404241 0.007528 -0.245684
C -6.155240 -0.493116 0.140513
C 1.038874 0.379769 -0.142292
C -0.083831 -0.421571 -2.278988
C 5.011347 -2.426117 2.230575
C -2.517971 -0.757648 -2.294118
C 3.709021 -2.510021 1.637090
C -1.265290 -0.783325 -2.951584
C -6.591187 -1.601000 0.908704
C -6.778180 0.765743 0.329814
C -7.631945 -1.454771 1.852743
C -7.818361 0.916171 1.273141
C -8.248110 -0.195051 2.035850
H 7.137913 0.927892 1.035011
H 6.174870 2.629145 -0.555626
H 6.833101 -1.244746 2.344586
H -4.967010 -1.693104 -1.225305
H -5.170271 0.028835 -1.725960
H -1.458992 0.317130 0.802143
H 0.883337 -0.436493 -2.785017
H 5.347638 -3.215565 2.909308
H -3.419139 -1.042876 -2.844483
H 3.057871 -3.363536 1.858100
H -1.221262 -1.088443 -4.002533
H -6.109580 -2.576777 0.771452
H -6.441134 1.628826 -0.256740
H -7.961361 -2.317554 2.442058
H -8.292530 1.893774 1.413213
H -9.056688 -0.079964 2.766396


