%chk=000043929.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043929

0 1
 O   -4.610400     -0.2404000      0.1897000    
 O   -3.991600       1.580500      -1.075200    
 N    4.196900     -0.1445000      7.8699999E-02
 N   -1.907100      -1.962700       1.350900    
 C    2.820500      0.1120000     -9.0700001E-02
 C    4.909700      0.3974000       1.218500    
 C    4.913600     -0.9651000     -0.8773000    
 C    2.136400      0.8919000      0.8420000    
 C    2.143200     -0.4137000      -1.191000    
 C    5.306800       1.844300      0.9803000    
 C    4.701700      -2.443700     -0.5995000    
 C   0.1140000      0.6169000     -0.4237000    
 C   0.7750000       1.145600      0.6745000    
 C   0.7819000     -0.1598000      -1.358400    
 C   -1.321500      0.8846000     -0.6004000    
 C   -2.324800      0.1398000     -9.8999999E-02
 C   -3.714200      0.5993000     -0.3999000    
 C   -5.990300      8.0100000E-02 -1.7600000E-02
 C   -2.092900      -1.019800      0.7003000    
 C   -6.846900     -0.9425000      0.6979000    
 H    4.355900      0.2795000       2.156900    
 H    5.830800     -0.1779000       1.381300    
 H    4.674100     -0.7104000      -1.915800    
 H    5.990000     -0.7623000     -0.7977000    
 H    2.602400       1.328600       1.718000    
 H    2.614900      -1.026100      -1.951100    
 H    5.937600       1.932200      8.8900000E-02
 H    4.444200       2.500800      0.8370000    
 H    5.877600       2.223000       1.834200    
 H    5.031500      -2.700300      0.4132000    
 H    3.653600      -2.742600     -0.6887000    
 H    5.283000      -3.046000      -1.304900    
 H   0.2527000       1.754800       1.407600    
 H   0.2647000     -0.5744000      -2.219900    
 H   -1.523000       1.768900      -1.201300    
 H   -6.196500       1.079700      0.3807000    
 H   -6.211600      6.2899999E-02  -1.090600    
 H   -7.910200     -0.7273000      0.5602000    
 H   -6.638300      -1.950000      0.3229000    
 H   -6.623200     -0.9501000       1.769800    


%chk=000043929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000043929

0 1
O -4.861323 0.088469 0.352929
O -4.048644 -0.363298 -1.790133
N 4.292352 -0.118559 0.024540
N -2.361766 0.542203 2.633690
C 2.912350 -0.130834 -0.144997
C 4.915756 0.053052 1.356693
C 5.220788 -0.277824 -1.117065
C 2.018949 0.124655 0.953822
C 2.313286 -0.398879 -1.424161
C 5.113050 1.533672 1.756509
C 5.533633 -1.754540 -1.452610
C 0.030800 -0.156481 -0.484315
C 0.632253 0.108465 0.789194
C 0.924689 -0.405222 -1.575653
C -1.388343 -0.192100 -0.757223
C -2.496686 -0.000722 0.063418
C -3.839191 -0.114451 -0.573478
C -6.254031 -0.004359 -0.178230
C -2.430385 0.294267 1.462876
C -7.188398 0.221353 1.005597
H 4.312565 -0.474653 2.117034
H 5.896199 -0.458042 1.333440
H 4.809864 0.241187 -2.001719
H 6.158346 0.249041 -0.859556
H 2.417971 0.352709 1.945737
H 2.937571 -0.616780 -2.294665
H 5.755285 2.057424 1.025588
H 4.147813 2.066614 1.801976
H 5.595592 1.603120 2.748662
H 5.986984 -2.267018 -0.585044
H 4.617509 -2.304551 -1.728817
H 6.244417 -1.815719 -2.297126
H 0.002755 0.311990 1.659348
H 0.500723 -0.616824 -2.565332
H -1.665393 -0.408041 -1.800612
H -6.375783 0.759296 -0.968170
H -6.384270 -0.999838 -0.640684
H -8.239715 0.166291 0.668310
H -7.029802 -0.544922 1.783252
H -7.017569 1.213048 1.457779


