%chk=000004430.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004430

0 1
 O  -0.8962000      -1.969100      -1.560800    
 O   0.5055000       2.308100     -0.7287000    
 O  -0.9860000      -4.597400     -0.3196000    
 N    2.976900       1.219300     -1.8900000E-02
 N   -3.232000     -3.1599998E-02  -1.435700    
 C   0.5412000     -0.1392000     -0.8272000    
 C   0.5156000       1.119600      8.0300003E-02
 C    1.837200       1.075600      0.9233000    
 C  -0.7503000     -0.5111000      -1.602100    
 C    1.774300     -0.1096000      -1.758900    
 C   0.6094000      -1.343100      4.8700001E-02
 C  -0.7633000       1.228100      0.9604000    
 C    1.918500     -0.1998000       1.836700    
 C    3.087700      0.1334000     -0.9971000    
 C    1.282500      -1.437000       1.254000    
 C   -1.956900      9.4599999E-02 -0.9613000    
 C   -1.989200      0.8794000      0.1741000    
 C    4.251500       1.474300      0.6439000    
 C  -0.1758000      -2.358000     -0.4576000    
 C    5.334200       1.830300     -0.3537000    
 C    6.695700       2.123600      0.1631000    
 C    6.426500      0.8501000     -0.5837000    
 C   -3.349700       1.231400      0.4077000    
 C    1.232600      -2.668200       1.908900    
 C  -0.2318000      -3.582700      0.1691000    
 C   -4.104900      0.6488000     -0.6154000    
 C   0.4950000      -3.737300       1.358000    
 C   -4.016300       1.989900       1.391600    
 C   -5.494600      0.7907000     -0.7014000    
 C   -5.405700       2.139000       1.317000    
 C   -6.131700       1.547800      0.2855000    
 H    1.850600       1.963700       1.569600    
 H  -0.6985000     -0.2010000      -2.652600    
 H    1.643000      0.6913000      -2.498800    
 H    1.865300      -1.043500      -2.329100    
 H  -0.8603000       2.251100       1.345400    
 H  -0.7221000      0.5591000       1.826200    
 H    1.383700      3.0600000E-02   2.767900    
 H    2.948000     -0.4262000       2.128900    
 H    3.415700     -0.7959000     -0.5151000    
 H    3.839600      0.3633000      -1.760300    
 H    4.139300       2.335100       1.314800    
 H    4.571500      0.6272000       1.260800    
 H    4.991300       2.455200      -1.169500    
 H  -0.2249000       2.240600      -1.366000    
 H    6.877600       2.053200       1.228500    
 H    7.276400       2.887600     -0.3393000    
 H    6.820900      0.7616000      -1.588700    
 H    6.437300     -7.5000003E-02 -2.0900000E-02
 H   -3.499100     -0.5507000      -2.260900    
 H    1.740600      -2.805700       2.859600    
 H   0.4706000      -4.683700       1.893900    
 H   -3.464300       2.457000       2.202200    
 H   -6.061500      0.3303000      -1.503800    
 H  -0.8968000      -5.366700      0.2688000    
 H   -5.923000       2.723200       2.073500    
 H   -7.210300       1.676400      0.2465000    


%chk=000004430-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000004430

0 1
O -0.875495 -2.076730 -1.570747
O 0.570564 2.298264 -0.733415
O -1.007345 -4.729025 -0.294133
N 3.014667 1.101034 0.011605
N -3.248261 -0.004573 -1.536610
C 0.543664 -0.208193 -0.806885
C 0.524842 1.072155 0.089701
C 1.847016 1.033759 0.923529
C -0.746497 -0.532440 -1.624575
C 1.787058 -0.146990 -1.741290
C 0.596428 -1.407970 0.121872
C -0.743856 1.136652 0.984892
C 1.883369 -0.197897 1.914153
C 3.100422 -0.019810 -0.948982
C 1.264053 -1.475124 1.352400
C -1.950183 0.098474 -1.012913
C -1.976925 0.872922 0.151963
C 4.286816 1.452498 0.671046
C -0.181877 -2.451173 -0.398824
C 5.320452 2.016487 -0.298988
C 6.782558 2.138409 0.154026
C 6.398717 1.115128 -0.926025
C -3.354023 1.267800 0.364413
C 1.205368 -2.719385 2.032966
C -0.236593 -3.693593 0.262456
C -4.131965 0.692822 -0.707567
C 0.487794 -3.809643 1.481747
C -4.011814 2.046190 1.353797
C -5.529227 0.874734 -0.804175
C -5.404099 2.231683 1.259343
C -6.154023 1.651255 0.192412
H 1.868731 1.957771 1.533444
H -0.644099 -0.329289 -2.704456
H 1.675631 0.741119 -2.390267
H 1.817291 -1.054387 -2.373947
H -0.781949 2.138306 1.454650
H -0.683762 0.394933 1.802839
H 1.351921 0.073198 2.849201
H 2.937717 -0.365998 2.210842
H 3.336638 -0.990941 -0.443703
H 3.928783 0.187412 -1.647464
H 4.059374 2.221117 1.436606
H 4.754331 0.586154 1.214609
H 4.926819 2.821833 -0.929317
H -0.357321 2.460766 -1.052514
H 7.041026 1.755142 1.147257
H 7.347875 3.025382 -0.145250
H 6.706388 1.309281 -1.957830
H 6.403242 0.056362 -0.644880
H -3.505775 -0.589595 -2.329328
H 1.702527 -2.842554 3.001969
H 0.458372 -4.763779 2.025586
H -3.446331 2.493423 2.179090
H -6.111544 0.432547 -1.620087
H -0.974065 -5.530703 0.284834
H -5.926126 2.829368 2.014688
H -7.236802 1.813414 0.148036


