%chk=000006086.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006086

0 1
 O    3.548300       1.486400      -1.334700    
 O    4.011900      0.7302000       1.295700    
 N   -2.158900     -0.2139000     -0.5635000    
 C   -1.006400      -2.247400     -0.1238000    
 C  -0.4025000      -1.531600      -1.358800    
 C   -2.288600      -1.460800      0.1939000    
 C   -1.505500     -0.5860000      -1.822200    
 C   5.0600000E-02  -2.233400      0.9984000    
 C   0.8033000     -0.8379000     -0.7919000    
 C    1.040000      -1.218300      0.5299000    
 C   -3.437100      0.4487000     -0.7732000    
 C    1.640600      6.5499999E-02  -1.430600    
 C    2.113400     -0.7040000       1.241100    
 C   -4.055900      0.8443000      0.5664000    
 C    2.720000      0.5947000     -0.7202000    
 C    2.954400      0.2130000      0.6083000    
 C   -5.391300       1.562100      0.3677000    
 C   -6.030800       1.927700       1.697700    
 C    3.210100       2.866800      -1.222100    
 C    4.184300      0.2938000       2.642000    
 H   -1.285900      -3.281400     -0.3619000    
 H  -9.8700002E-02  -2.241800      -2.135000    
 H   -3.152900      -2.045100     -0.1491000    
 H   -2.399300      -1.285900       1.268500    
 H   -1.125600      0.2902000      -2.357100    
 H   -2.198500      -1.125200      -2.481300    
 H   0.5426000      -3.210100       1.065600    
 H  -0.3706000      -1.976100       1.974400    
 H   -4.132200     -0.1907000      -1.332800    
 H   -3.280800       1.355700      -1.370500    
 H    1.461400      0.3543000      -2.461600    
 H    2.241000      -1.051900       2.259200    
 H   -3.367900       1.496300       1.119400    
 H   -4.240700     -3.7599999E-02   1.190300    
 H   -6.079400      0.9212000     -0.1959000    
 H   -5.239800       2.473600     -0.2221000    
 H   -6.982100       2.442900       1.531800    
 H   -6.229200       1.033600       2.297300    
 H   -5.380900       2.592300       2.275900    
 H    2.233400       3.060600      -1.676800    
 H    3.965900       3.449700      -1.755600    
 H    3.204400       3.178400     -0.1728000    
 H    3.338200      0.5862000       3.273100    
 H    5.066900      0.8079000       3.036800    
 H    4.392800     -0.7802000       2.694800    


%chk=000006086-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006086

0 1
O 3.955950 1.131999 -1.683293
O 4.371952 0.726162 1.081802
N -2.464714 -0.242506 -0.434983
C -1.022649 -2.083919 -0.066780
C -0.458289 -1.273931 -1.301795
C -2.505196 -1.658061 0.012070
C -1.582705 -0.240424 -1.633859
C -0.174552 -1.642618 1.173699
C 0.846979 -0.682298 -0.797208
C 1.018673 -0.905514 0.586876
C -3.773842 0.406798 -0.652026
C 1.823854 0.028457 -1.524283
C 2.171835 -0.438396 1.252408
C -4.588227 0.576109 0.646301
C 2.982094 0.508507 -0.875942
C 3.164907 0.259677 0.522387
C -5.896204 1.370348 0.426683
C -6.723321 1.526561 1.721013
C 4.396322 2.482973 -1.280012
C 4.624211 0.417337 2.489683
H -0.926271 -3.172477 -0.225814
H -0.287236 -1.923926 -2.179605
H -3.133904 -2.291958 -0.668752
H -2.918870 -1.742557 1.032367
H -1.184157 0.772947 -1.820360
H -2.139734 -0.569527 -2.549573
H 0.122377 -2.504291 1.801323
H -0.769467 -0.958194 1.810409
H -4.389144 -0.157902 -1.404547
H -3.582971 1.408640 -1.085867
H 1.727044 0.222896 -2.597761
H 2.298590 -0.626421 2.323362
H -3.953657 1.092854 1.393052
H -4.839001 -0.416737 1.070896
H -6.510230 0.863092 -0.345721
H -5.651321 2.373207 0.020948
H -7.651704 2.099542 1.542046
H -7.008954 0.538947 2.130306
H -6.142997 2.056310 2.499815
H 3.535005 3.179623 -1.258752
H 5.108452 2.794715 -2.059726
H 4.887537 2.460020 -0.293235
H 3.870266 0.888589 3.150459
H 5.618118 0.838334 2.702861
H 4.637150 -0.676187 2.663825


