%chk=000049029.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049029

0 1
 O    3.932500     -3.5700001E-02  0.9141000    
 O   -2.219600      0.4884000     -2.2500001E-02
 O   -1.654300       2.587900     -0.7786000    
 N   -6.669300      -1.429600      0.2347000    
 C   -4.420200     -0.4725000      8.9900002E-02
 C   -5.908500     -0.2501000     -0.1594000    
 C   -3.600600      0.7527000     -0.2923000    
 C    5.946600      -1.044800      0.1031000    
 C    4.436200      -1.178200      0.2361000    
 C    6.554900      -2.235200     -0.6328000    
 C    2.651900      0.3485000      0.6114000    
 C    2.392900       1.613500      8.3600000E-02
 C   3.3700000E-02   1.098600      7.6000001E-03
 C    1.083800       1.988400     -0.2184000    
 C   -8.054500      -1.070400      0.5437000    
 C   -6.631400      -2.443900     -0.8203000    
 C    1.601800     -0.5414000      0.8373000    
 C   0.2927000     -0.1663000      0.5355000    
 C   -1.331100       1.488800     -0.3083000    
 C    8.057500      -2.077400     -0.8015000    
 C    3.504800       2.578800     -0.1631000    
 H   -4.039800      -1.330300     -0.4768000    
 H   -4.239900     -0.7104000       1.146600    
 H   -6.209500      0.6115000      0.4517000    
 H   -6.098400      3.0600000E-02  -1.203500    
 H   -3.723200      0.9720000      -1.359300    
 H   -3.920700       1.621300      0.2947000    
 H    6.393600     -0.9446000       1.100100    
 H    6.181400     -0.1122000     -0.4255000    
 H    3.987100      -1.269600     -0.7614000    
 H    4.186400      -2.074100      0.8159000    
 H    6.093300      -2.338100      -1.621800    
 H    6.348400      -3.159300     -8.0600001E-02
 H   0.8866000       2.975500     -0.6298000    
 H   -8.093400     -0.3626000       1.379400    
 H   -8.620400      -1.954200      0.8591000    
 H   -8.565800     -0.6213000     -0.3156000    
 H   -5.610200      -2.783700      -1.018300    
 H   -7.063800      -2.081700      -1.760300    
 H   -7.191600      -3.333900     -0.5111000    
 H    1.787500      -1.526800       1.256000    
 H  -0.4930000     -0.8909000      0.7296000    
 H    8.555500      -2.001900      0.1704000    
 H    8.472500      -2.941600      -1.329500    
 H    8.295300      -1.179300      -1.380400    
 H    4.028500       2.802500      0.7722000    
 H    4.217400       2.161400     -0.8823000    
 H    3.141500       3.527600     -0.5721000    


%chk=000049029-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049029

0 1
O 4.116117 0.268133 -0.176571
O -2.298856 0.485889 0.083281
O -1.848032 2.772752 0.000855
N -6.822170 -1.518221 0.217294
C -4.510548 -0.509435 0.105166
C -6.035444 -0.267279 0.099496
C -3.748918 0.816556 0.142308
C 6.118724 -1.092121 -0.205059
C 4.591052 -1.130455 -0.134647
C 6.734757 -2.510510 -0.168642
C 2.737517 0.504500 -0.125280
C 2.360402 1.883418 -0.168374
C -0.003746 1.173733 -0.031287
C 0.988989 2.188695 -0.119201
C -8.244229 -1.240706 0.509669
C -6.672847 -2.413216 -0.948669
C 1.761685 -0.520934 -0.037437
C 0.395295 -0.184132 0.008797
C -1.428554 1.586006 0.016839
C 8.276706 -2.481282 -0.236915
C 3.422670 2.958123 -0.264401
H -4.195944 -1.068452 -0.795073
H -4.249602 -1.122187 0.986884
H -6.298513 0.370059 0.966925
H -6.315609 0.310911 -0.822867
H -3.998280 1.469411 -0.715524
H -3.941721 1.386087 1.071045
H 6.503558 -0.491978 0.641589
H 6.424018 -0.572153 -1.133223
H 4.166469 -1.690279 -0.993890
H 4.247459 -1.608410 0.806312
H 6.338942 -3.108346 -1.014878
H 6.415822 -3.029532 0.758206
H 0.658611 3.232900 -0.148825
H -8.324483 -0.642260 1.434710
H -8.782402 -2.191813 0.671581
H -8.768173 -0.683661 -0.309397
H -5.621634 -2.725705 -1.064283
H -7.004006 -1.941045 -1.909980
H -7.276759 -3.324095 -0.789398
H 2.055774 -1.573569 -0.004530
H -0.366778 -0.965017 0.077239
H 8.700052 -1.916879 0.614869
H 8.700571 -3.501476 -0.211359
H 8.622464 -1.993612 -1.167485
H 4.116264 2.911238 0.595223
H 4.042791 2.825041 -1.169826
H 2.965642 3.961309 -0.294066


