%chk=000005697.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005697

0 1
 O   -6.499200      0.6884000     -4.0199999E-02
 O   -3.602100      -2.986000     -0.4302000    
 O    4.681100       1.077100     -0.7619000    
 O    7.163000       1.208600      0.2897000    
 N   -4.212600       1.099300     -0.1702000    
 N   -5.077000      -1.162400     -0.2353000    
 N   -1.402000     -0.9698000     -0.4675000    
 N   -1.759700       1.226100     -0.3255000    
 N    7.671500     -0.9662000     -0.3599000    
 N    10.40990      -1.541800       2.097500    
 C   -2.945700      0.5434000     -0.2836000    
 C   -2.754300     -0.8086000     -0.3689000    
 C   -4.366100       2.546100     -8.2400002E-02
 C   -5.347400      0.2506000     -0.1407000    
 C   -6.232500      -2.052700     -0.2081000    
 C   -3.802100      -1.777300     -0.3523000    
 C   -4.334500       3.047000       1.356500    
 C  -0.8467000      0.2833000     -0.4369000    
 C   -6.600200      -2.483400       1.206800    
 C   0.5795000      0.4886000     -0.5214000    
 C   -4.516000       4.554700       1.458600    
 C   -7.791600      -3.430100       1.242700    
 C    1.164000       1.589600      0.1045000    
 C    1.373400     -0.4148000      -1.227900    
 C    2.542400       1.787300      2.3700001E-02
 C    2.751700     -0.2172000      -1.308800    
 C    3.336200      0.8839000     -0.6829000    
 C    5.498700     -8.6499996E-02 -0.8778000    
 C    6.854900      0.1481000     -0.2473000    
 C    9.020100      -1.011400      0.1568000    
 C    9.043100      -1.513600       1.593000    
 H   -5.325000       2.821000     -0.5380000    
 H   -3.586000       3.031600     -0.6811000    
 H   -7.088900      -1.553600     -0.6762000    
 H   -6.017000      -2.939700     -0.8158000    
 H  -0.9123000      -1.852600     -0.5356000    
 H   -3.382200       2.770300       1.824700    
 H   -5.121600       2.552500       1.938600    
 H   -5.741300      -2.974400       1.680400    
 H   -6.826900      -1.600300       1.816300    
 H   -4.485800       4.870700       2.506000    
 H   -5.478500       4.861700       1.037400    
 H   -3.721100       5.080700      0.9205000    
 H   -8.679900      -2.955900      0.8135000    
 H   -7.581700      -4.343600      0.6775000    
 H   -8.020900      -3.712800       2.274900    
 H   0.5639000       2.304100      0.6630000    
 H   0.9471000      -1.272300      -1.742700    
 H    2.992500       2.646200      0.5140000    
 H    3.329900     -0.9264000      -1.893800    
 H    5.640800     -0.3228000      -1.938400    
 H    5.059800     -0.9452000     -0.3527000    
 H    9.592400      -1.677600     -0.4982000    
 H    9.458800     -8.9999996E-03  9.0000004E-02
 H    7.313300      -1.799300     -0.8181000    
 H    8.437500     -0.8623000       2.232900    
 H    8.608600      -2.518100       1.650600    
 H    10.41450      -1.928900       3.040200    
 H    10.97380      -2.171200       1.527500    


%chk=000005697-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000005697

0 1
O -6.305318 0.869748 -0.921047
O -4.345664 -3.310113 0.106883
O 4.829109 -0.473206 0.723197
O 7.941190 -2.213452 1.460797
N -3.980877 0.803348 -0.659905
N -5.313331 -1.207576 -0.432822
N -1.659179 -1.759171 0.135936
N -1.550691 0.475242 -0.281925
N 7.399305 0.024734 1.024580
N 10.849308 1.112468 -0.088673
C -2.862150 0.040021 -0.363992
C -2.966612 -1.336677 -0.111491
C -3.868597 2.263488 -0.901686
C -5.261026 0.197441 -0.681533
C -6.664310 -1.833405 -0.466920
C -4.203963 -2.067512 -0.121100
C -3.960194 3.087972 0.401154
C -0.825483 -0.648842 0.025663
C -7.383004 -1.758956 0.898259
C 0.624994 -0.668386 0.214104
C -3.832591 4.598967 0.115164
C -8.776251 -2.418640 0.829443
C 1.349744 0.551850 0.082504
C 1.343719 -1.852386 0.524700
C 2.739542 0.584249 0.256377
C 2.741846 -1.832560 0.702343
C 3.441667 -0.607947 0.567648
C 5.615183 -1.673215 1.056174
C 7.098208 -1.302436 1.193517
C 8.775138 0.536335 1.114476
C 9.475346 0.613700 -0.266131
H -4.688031 2.542628 -1.585120
H -2.898244 2.437668 -1.398899
H -7.254285 -1.306451 -1.235045
H -6.518407 -2.886609 -0.761161
H -1.400733 -2.719895 0.356033
H -3.158774 2.764965 1.092277
H -4.929495 2.877642 0.890804
H -6.762265 -2.266136 1.660701
H -7.482445 -0.698135 1.194792
H -3.904105 5.184002 1.049310
H -4.635275 4.946598 -0.561637
H -2.861350 4.837357 -0.357912
H -9.419948 -1.913906 0.084806
H -8.700083 -3.485418 0.546862
H -9.287419 -2.364952 1.807295
H 0.793062 1.462613 -0.156408
H 0.826618 -2.813454 0.633140
H 3.300378 1.518394 0.157408
H 3.264803 -2.762629 0.941244
H 5.518040 -2.436069 0.259842
H 5.274158 -2.108229 2.015579
H 8.773614 1.539563 1.575142
H 9.340717 -0.148393 1.771748
H 6.623707 0.653474 0.799979
H 9.404183 -0.388811 -0.747755
H 8.928135 1.326237 -0.912097
H 11.479585 0.456717 0.381835
H 11.272401 1.529248 -0.920957


