%chk=000007588.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000007588

0 1
 O   -5.830200      -1.045300     -0.4377000    
 O    5.947900      -1.031400     -0.2593000    
 N   -1.159500       1.927600      8.4600002E-02
 N   0.5563000      0.2772000     -0.1439000    
 C   -2.346000       1.173000     -4.8000000E-02
 C   0.1630000       1.512600      2.7300000E-02
 C   -4.687000     -0.3181000     -0.3090000    
 C   -3.502900       1.572700      0.6185000    
 C   -2.356900      2.9300001E-02 -0.8449000    
 C    1.914600     -5.4000001E-02 -0.1727000    
 C   -4.674200      0.8267000      0.4880000    
 C   -3.528300     -0.7168000     -0.9754000    
 C    4.625400     -0.7109000     -0.2309000    
 C    2.576200     -0.3900000       1.008200    
 C    2.608300     -4.6399999E-02  -1.382900    
 C    3.931600     -0.7182000      0.9792000    
 C    3.963600     -0.3748000      -1.412100    
 C    1.173300       2.642100      0.2177000    
 C   -6.731000      -1.040600      0.6689000    
 C    6.714200     -0.7302000      0.9058000    
 C   -7.485000      -2.325300      0.7023000    
 C    8.126700     -0.4591000      0.5162000    
 H   -1.336900       2.887500      0.3707000    
 H   -3.506800       2.465600       1.238500    
 H   -1.487500     -0.2928000      -1.408500    
 H   -5.560700       1.187400       1.001100    
 H   -3.534800      -1.603200      -1.603900    
 H    2.042200     -0.4045000       1.954900    
 H    2.101300      0.2139000      -2.308400    
 H    4.401300      -1.000600       1.916700    
 H    4.498800     -0.3669000      -2.357600    
 H    1.750200       2.473400       1.131200    
 H    1.848000       2.692400     -0.6412000    
 H   0.6725000       3.610500      0.3065000    
 H   -6.198400     -0.9442000       1.623600    
 H   -7.426800     -0.2015000      0.5574000    
 H    6.335200      0.1625000       1.419700    
 H    6.672500      -1.585200       1.589800    
 H   -8.193500      -2.348300       1.535600    
 H   -8.040100      -2.476600     -0.2297000    
 H   -6.802900      -3.176600      0.8017000    
 H    8.743700     -0.2347000       1.391300    
 H    8.560500      -1.320300     -3.1999999E-03
 H    8.185500      0.3865000     -0.1774000    


%chk=000007588-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000007588

0 1
O -5.504913 -1.701483 0.377800
O 6.170978 -0.424650 -0.365517
N -1.301561 2.095964 0.095710
N 0.650725 0.775464 0.185858
C -2.332062 1.117842 0.172096
C 0.089091 1.957208 0.066258
C -4.508809 -0.709813 0.309912
C -3.673458 1.582183 0.189759
C -2.090509 -0.284313 0.227324
C 2.041794 0.539110 0.062425
C -4.759106 0.684351 0.257989
C -3.172856 -1.178921 0.293878
C 4.805805 -0.147327 -0.160082
C 2.671965 -0.290521 1.028347
C 2.828095 0.996920 -1.038847
C 4.039566 -0.624132 0.934153
C 4.188191 0.656283 -1.149722
C 0.813625 3.298136 -0.073331
C -6.910077 -1.257913 0.390111
C 6.849224 -1.276831 0.627301
C -7.770971 -2.517231 0.453443
C 8.297530 -1.425243 0.167498
H -1.634568 3.060655 0.055132
H -3.878512 2.660666 0.149011
H -1.057990 -0.636535 0.219563
H -5.778197 1.081436 0.269568
H -2.998534 -2.258735 0.334865
H 2.067507 -0.669647 1.858831
H 2.355758 1.591554 -1.829130
H 4.487191 -1.257015 1.706314
H 4.788762 0.995040 -1.999948
H 1.865418 3.196339 0.234537
H 0.799186 3.660869 -1.117997
H 0.337745 4.069887 0.560248
H -7.086665 -0.606141 1.271421
H -7.122520 -0.672076 -0.528820
H 6.792234 -0.799030 1.627812
H 6.341192 -2.262436 0.679634
H -8.842617 -2.246671 0.464204
H -7.580087 -3.161717 -0.421459
H -7.545881 -3.095999 1.365470
H 8.860049 -2.058281 0.877838
H 8.341755 -1.893391 -0.830669
H 8.789904 -0.439454 0.109913


