%chk=000002095.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002095

0 1
 O   0.9979000     -0.8341000      0.5728000    
 O   -3.050200      0.3305000      -1.442300    
 O   -2.149700       2.601100      0.4548000    
 O  -0.9045000      -3.194400      0.1136000    
 N    1.008200       1.434400      0.2826000    
 N    2.921600      9.6199997E-02 -0.2272000    
 C   -1.306900     -0.8638000     -0.2261000    
 C  -0.3284000     -0.4374000      0.8711000    
 C  -0.3039000       1.084500      0.8413000    
 C   -2.318200      0.2800000     -0.2299000    
 C   -1.427300       1.514200     -0.1035000    
 C   -1.934800      -2.223900      4.6500001E-02
 C    1.645800      0.3079000      0.2011000    
 C    3.485400      -1.239700     -0.2551000    
 C    3.664900       1.144300     -0.8999000    
 H  -0.7851000     -0.9249000      -1.191900    
 H  -0.6175000     -0.8105000       1.860200    
 H  -0.4023000       1.513800       1.844700    
 H   -3.030300      0.2021000      0.6006000    
 H   -1.051500       1.839100      -1.080700    
 H   -2.625700      -2.498800     -0.7569000    
 H   -2.482000      -2.229200      0.9951000    
 H   -3.600800       1.131600      -1.416700    
 H   -2.505100       2.320200       1.315200    
 H   -1.329700      -4.052000      0.2845000    
 H    4.555100      -1.225300     -0.4906000    
 H    2.985600      -1.850100      -1.014700    
 H    3.381200      -1.730400      0.7188000    
 H    4.745300      0.9794000     -0.8289000    
 H    3.464000       2.125200     -0.4557000    
 H    3.390800       1.180400      -1.959100    


%chk=000002095-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000002095

0 1
O 1.037656 -0.957423 0.251782
O -3.234176 0.154239 -1.346614
O -2.033775 2.686740 0.011595
O -1.280242 -3.407645 0.332628
N 1.100097 1.388635 0.432821
N 3.004108 0.170543 -0.403055
C -1.464099 -1.038795 -0.112219
C -0.299734 -0.594713 0.809189
C -0.274267 0.990966 0.817071
C -2.361455 0.215264 -0.178194
C -1.370098 1.398436 -0.206211
C -2.224578 -2.280132 0.351337
C 1.732433 0.279849 0.097083
C 3.642349 -1.125158 -0.666715
C 3.792673 1.388720 -0.629734
H -1.057442 -1.228156 -1.123238
H -0.355914 -1.050502 1.811853
H -0.521595 1.401815 1.817810
H -2.977299 0.299291 0.751043
H -0.927936 1.483340 -1.214244
H -3.079765 -2.454308 -0.333520
H -2.620458 -2.118688 1.380397
H -3.635571 1.053165 -1.469376
H -2.143562 2.836678 0.985020
H -1.766132 -4.246516 0.532498
H 4.528695 -1.265992 -0.015558
H 3.974576 -1.182316 -1.721966
H 2.927501 -1.937441 -0.475282
H 4.676949 1.416380 0.037933
H 3.158886 2.263535 -0.421329
H 4.144075 1.430590 -1.679103


