%chk=000064274.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000064274

0 1
 O  -0.5226000      -1.568900     -0.4097000    
 O   0.8815000      -3.392600       1.150000    
 N    2.923200     -0.8451000     -0.5972000    
 C   -2.516100     -0.2649000     -0.5911000    
 C   -4.628300       1.117200     -0.8228000    
 C   -4.120400     -3.8600001E-02   1.358200    
 C   -2.743800       1.943400      0.6321000    
 C   -3.651400      0.1739000      -1.546300    
 C   -3.145000     -0.9790000      0.6287000    
 C   -1.772100      0.9976000     -9.5200002E-02
 C   -5.234200      0.3873000      0.3873000    
 C   -3.864500       2.359500     -0.3351000    
 C   -3.359100       1.209400       1.835000    
 C   -1.546400      -1.203300      -1.314300    
 C   0.4249000      -2.445900      -1.009800    
 C    1.504800      -2.782100      1.6300000E-02
 C    2.283000      -1.556600      0.5009000    
 C    3.611300      0.3507000     -0.1147000    
 C    4.694700     -4.3499999E-02  0.8952000    
 C    4.211300       1.119400      -1.297200    
 C    5.487800       1.175000       1.364700    
 C    5.004300       2.336700     -0.8248000    
 C    6.077000       1.950200      0.1897000    
 H   -5.426400       1.419900      -1.509700    
 H   -4.558500     -0.5560000       2.218900    
 H   -2.204800       2.832700      0.9776000    
 H   -4.194700     -0.7042000      -1.918400    
 H   -3.232900      0.6809000      -2.425400    
 H   -2.369400      -1.305400       1.333100    
 H   -3.677300      -1.883100      0.3059000    
 H  -0.9572000      0.7284000      0.5888000    
 H   -1.311100       1.523000     -0.9416000    
 H   -5.948000       1.042900      0.9010000    
 H   -5.795500     -0.4933000      5.1399998E-02
 H   -4.554100       3.050100      0.1659000    
 H   -3.440000       2.898600      -1.191000    
 H   -4.039600       1.879700       2.374500    
 H   -2.570800      0.9206000       2.541200    
 H   -2.071100      -2.101600      -1.662400    
 H   -1.107100     -0.7008000      -2.184900    
 H   0.8552000      -1.987200      -1.906700    
 H  -9.4700001E-02  -3.367000      -1.300100    
 H    2.195300      -3.517000     -0.4128000    
 H    3.007700      -1.939600       1.226600    
 H    1.610200     -0.8897000       1.055600    
 H    2.883200       1.010300      0.3767000    
 H    5.385100     -0.7745000      0.4541000    
 H    4.273900     -0.4946000       1.799000    
 H    3.415600       1.447500      -1.977400    
 H    4.875200      0.4649000      -1.877500    
 H    3.581400      -1.463800      -1.070100    
 H    6.293700      0.8551000       2.035100    
 H    4.832500       1.836000       1.945500    
 H    4.319800       3.065100     -0.3728000    
 H    5.471300       2.828700      -1.685400    
 H    6.578900       2.852200      0.5574000    
 H    6.841500       1.337600     -0.3041000    
 H   0.2290000      -2.763700       1.503700    


%chk=000064274-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000064274

0 1
O -0.458085 -1.418439 -0.271915
O 0.646640 -3.359473 1.272694
N 3.366401 -1.293851 -0.340865
C -2.496638 -0.046961 -0.449666
C -4.558318 1.428860 -0.755747
C -4.544912 -0.361601 1.039726
C -3.099690 1.708199 1.301158
C -3.391830 0.705532 -1.480815
C -3.379231 -1.080907 0.310092
C -1.934740 0.985619 0.571380
C -5.424641 0.384588 -0.000264
C -3.980106 2.451610 0.259522
C -3.965220 0.660978 2.054257
C -1.362897 -0.750120 -1.214867
C 0.531586 -2.284203 -0.939638
C 1.451853 -2.798689 0.176464
C 2.392412 -1.685156 0.702818
C 3.925998 0.078747 -0.263960
C 4.781392 0.360866 1.005386
C 4.750323 0.372314 -1.538865
C 5.336171 1.806575 1.011068
C 5.317954 1.812119 -1.540303
C 6.154393 2.096429 -0.269713
H -5.180927 1.958332 -1.504175
H -5.158899 -1.111125 1.577402
H -2.683112 2.436759 2.024843
H -3.797789 -0.012466 -2.223669
H -2.781362 1.444851 -2.040102
H -2.755286 -1.636470 1.036229
H -3.782859 -1.824463 -0.408514
H -1.284128 0.466096 1.300111
H -1.302112 1.726610 0.039591
H -6.270131 0.890205 0.508123
H -5.860593 -0.339394 -0.718434
H -4.806487 2.985609 0.770532
H -3.376828 3.215312 -0.272055
H -4.789868 1.168317 2.594630
H -3.350953 0.135834 2.813052
H -1.789596 -1.503324 -1.916946
H -0.781552 -0.010242 -1.811154
H 1.129510 -1.711025 -1.676829
H 0.005731 -3.123801 -1.441262
H 2.056811 -3.641668 -0.206451
H 2.850062 -2.050991 1.648353
H 1.778316 -0.799140 0.953917
H 3.058254 0.773469 -0.249138
H 5.628543 -0.358633 1.027331
H 4.177096 0.177008 1.915135
H 4.114136 0.198014 -2.426890
H 5.592368 -0.351996 -1.595963
H 4.114773 -1.993534 -0.451647
H 5.958053 1.973652 1.912014
H 4.489060 2.521842 1.071721
H 4.475996 2.533875 -1.589977
H 5.930414 1.975337 -2.448335
H 6.507488 3.146053 -0.271065
H 7.058892 1.452911 -0.276904
H -0.135639 -2.752353 1.370174


