%chk=000049291.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049291

0 1
 O  -0.7014000     -0.7116000       1.911300    
 O  -0.3129000       1.271100      -2.327600    
 O   -3.163400       3.004500      0.8231000    
 N   -2.002800       1.086200       1.331300    
 N   -1.809300       2.076300     -0.7864000    
 C  -0.8542000     -0.1576000     -0.4445000    
 C   0.5291000     -0.8013000     -0.6189000    
 C    1.642700      0.1224000     -0.1260000    
 C   -1.931700      -1.112100     -0.9895000    
 C    3.016800     -0.5360000     -0.2706000    
 C   -1.141400      3.8800001E-02   1.040700    
 C  -0.9296000       1.121000      -1.273100    
 C    4.126200      0.3755000      0.2589000    
 C   -2.000100      -2.394600     -0.2094000    
 C    5.520800     -0.2462000      0.1594000    
 C   -2.392700       2.108500      0.4745000    
 C   -2.959000      -2.447900      0.9450000    
 C   -1.266700      -3.462800     -0.5592000    
 C    6.629700      0.6659000      0.6607000    
 H   0.7102000      -1.053100      -1.672100    
 H   0.6202000      -1.732000     -4.9199998E-02
 H    1.490800      0.3838000      0.9272000    
 H    1.649700       1.063400     -0.6864000    
 H   -2.922400     -0.6366000     -0.9803000    
 H   -1.736600      -1.328900      -2.049500    
 H    3.032300      -1.484100      0.2805000    
 H    3.205900     -0.7704000      -1.325000    
 H    4.114400       1.320000     -0.2993000    
 H    3.921800      0.6254000       1.307400    
 H   -2.321400       1.158200       2.293600    
 H   -1.984900       2.878700      -1.384700    
 H    5.543400      -1.180300      0.7334000    
 H    5.726400     -0.5102000     -0.8848000    
 H   -2.696700      -3.246000       1.648200    
 H   -3.028000      -1.522500       1.515400    
 H   -3.965400      -2.656800      0.5645000    
 H  -0.5960000      -3.437900      -1.411500    
 H   -1.330300      -4.393800     -5.7999999E-03
 H    7.601400      0.1710000      0.5664000    
 H    6.477700      0.9220000       1.714000    
 H    6.662200       1.594700      8.2500003E-02


%chk=000049291-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049291

0 1
O -0.828515 -0.528093 2.074554
O -0.526943 1.093395 -2.456459
O -3.113053 3.280088 0.726633
N -2.050216 1.287076 1.336725
N -1.836247 2.127903 -0.858707
C -0.888269 -0.147267 -0.360609
C 0.533864 -0.756860 -0.474825
C 1.674428 0.190294 -0.039706
C -1.993706 -1.172742 -0.922101
C 3.057717 -0.488991 -0.156084
C -1.214455 0.172460 1.104117
C -1.027567 1.062871 -1.303505
C 4.224005 0.428379 0.274353
C -2.062871 -2.546607 -0.262949
C 5.606400 -0.255257 0.169422
C -2.393896 2.297251 0.421064
C -2.989622 -2.711884 0.928905
C -1.367555 -3.593986 -0.783888
C 6.768708 0.667008 0.596443
H 0.686080 -1.053855 -1.529416
H 0.554118 -1.672196 0.141874
H 1.518458 0.508148 1.010851
H 1.668144 1.104352 -0.667481
H -2.984337 -0.679000 -0.858545
H -1.744882 -1.285060 -1.993262
H 3.065590 -1.408232 0.465882
H 3.217641 -0.817597 -1.204242
H 4.221497 1.345733 -0.351020
H 4.061168 0.763912 1.320035
H -2.359960 1.441701 2.302038
H -2.016823 2.885638 -1.525560
H 5.608260 -1.169603 0.797462
H 5.766462 -0.594994 -0.874347
H -3.031398 -3.763526 1.259439
H -2.658353 -2.102119 1.788567
H -4.018985 -2.391668 0.672741
H -0.722261 -3.480668 -1.663027
H -1.428703 -4.596088 -0.344095
H 7.744569 0.153456 0.516731
H 6.646117 0.999120 1.644790
H 6.810191 1.572211 -0.038599


