%chk=000107717.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000107717

0 1
 O   0.9700000      -1.493700     -0.4652000    
 O   0.3026000       1.235100     -0.4049000    
 O  -0.3108000       2.081300      -2.455900    
 N    3.923100      0.4649000     -0.3291000    
 N   -3.286000      -2.226200       1.263800    
 C    1.545900      0.7851000     -0.9509000    
 C    2.603400      0.8483000      0.1537000    
 C    1.350700     -0.6183000      -1.520400    
 C    4.919600      0.5879000      0.7262000    
 C    6.295400      0.1725000      0.2078000    
 C   -1.261700      -1.921100      0.3768000    
 C  -0.2476000      -2.109300     -0.5833000    
 C   -2.483000      -2.575500      0.2014000    
 C    7.361400      0.3147000       1.294800    
 C   -1.360600      -1.167800       1.580000    
 C   -2.616500      -1.375900       2.102200    
 C  -0.4922000      -2.943400      -1.680100    
 C   -2.741700      -3.411900     -0.8901000    
 C    8.727500     -0.1305000      0.7974000    
 C   -1.720700      -3.583900      -1.829100    
 C   -3.252000     -0.8457000       3.322500    
 C  -0.5279000       1.867400      -1.273300    
 C   -1.776600       2.283600     -0.5862000    
 C   -2.972500       2.361900      -1.299900    
 C   -1.753900       2.596100      0.7732000    
 C   -4.145700       2.752800     -0.6545000    
 C   -2.927300       2.986800       1.418500    
 C   -4.123100       3.065100      0.7045000    
 H    1.869200       1.455800      -1.758500    
 H    2.626200       1.873400      0.5470000    
 H    2.299100      0.2116000      0.9943000    
 H    2.276500     -0.9998000      -1.963800    
 H   0.5940000     -0.5857000      -2.314600    
 H    4.648200     -5.1399998E-02   1.574900    
 H    4.964900       1.623200       1.085900    
 H    4.184800       1.051300      -1.121000    
 H    6.572500      0.7911000     -0.6553000    
 H    6.261200     -0.8681000     -0.1391000    
 H    7.420300       1.358400       1.624700    
 H    7.085200     -0.2869000       2.168700    
 H  -0.5938000     -0.5409000       2.015100    
 H   -4.232900      -2.552100       1.401200    
 H   0.2810000      -3.109500      -2.426700    
 H   -3.697700      -3.911200      -1.006800    
 H    8.710500      -1.181500      0.4917000    
 H    9.474100     -1.9500000E-02   1.590000    
 H    9.048600      0.4716000     -5.8600001E-02
 H   -1.888500      -4.229200      -2.687700    
 H   -3.540000      -1.660200       3.995000    
 H   -4.149300     -0.2703000       3.072600    
 H   -2.570400     -0.1843000       3.867200    
 H   -3.007500       2.118200      -2.358500    
 H  -0.8351000       2.554200       1.352000    
 H   -5.077100       2.812700      -1.209800    
 H   -2.909700       3.231200       2.476600    
 H   -5.036600       3.369000       1.207200    


%chk=000107717-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000107717

0 1
O 0.173415 -0.564551 -0.234661
O -0.062025 2.280864 -0.852354
O -0.489729 2.565653 -3.129621
N 3.404002 0.992246 -0.366339
N -1.625236 -4.029213 2.305790
C 1.131252 1.447954 -1.192625
C 2.103249 1.593610 -0.007862
C 0.722647 0.001415 -1.473247
C 4.236585 0.536298 0.770409
C 5.546713 -0.105745 0.274359
C -0.742868 -2.423748 0.958441
C -0.221675 -1.910889 -0.261956
C -1.163349 -3.795460 1.004053
C 6.450527 -0.592797 1.429249
C -0.968943 -1.853288 2.267572
C -1.510023 -2.854350 3.076756
C -0.135426 -2.758111 -1.387999
C -1.083895 -4.660352 -0.112946
C 7.767889 -1.225358 0.931168
C -0.564880 -4.115386 -1.302478
C -1.937454 -2.823201 4.516560
C -0.805766 2.773627 -1.929421
C -1.987052 3.564237 -1.478334
C -2.800170 4.173466 -2.469289
C -2.311924 3.712246 -0.104694
C -3.927770 4.929300 -2.089318
C -3.442085 4.468954 0.270151
C -4.250217 5.079021 -0.718913
H 1.572836 1.853021 -2.124550
H 2.160102 2.670125 0.273321
H 1.688225 1.044646 0.854793
H 1.633239 -0.554768 -1.772205
H -0.030048 -0.039106 -2.283617
H 3.650499 -0.212957 1.338032
H 4.483754 1.361859 1.485453
H 3.942401 1.591763 -1.007327
H 6.109094 0.629956 -0.340487
H 5.296493 -0.951945 -0.394942
H 6.680389 0.259452 2.101225
H 5.893327 -1.330942 2.041107
H -0.763071 -0.829426 2.570808
H -1.992792 -4.915318 2.645805
H 0.259006 -2.390468 -2.339225
H -1.409592 -5.704607 -0.063861
H 7.567872 -2.099314 0.283112
H 8.396450 -1.566566 1.774164
H 8.358539 -0.498999 0.341231
H -0.485911 -4.746943 -2.194420
H -1.369871 -3.546504 5.134451
H -3.013912 -3.055866 4.635585
H -1.765686 -1.819400 4.937213
H -2.531087 4.040445 -3.522404
H -1.681025 3.229975 0.646800
H -4.554414 5.399196 -2.854987
H -3.695513 4.581971 1.329846
H -5.127594 5.665682 -0.423769


