%chk=000116096.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116096

0 1
 O    2.781300     -0.4231000     -3.3399999E-02
 O    2.433500       1.818200      0.2534000    
 N   -2.148100     -9.0899996E-02 -0.2011000    
 N   0.6613000      0.4289000     -0.3191000    
 C   -1.182300      -1.163600      8.1000000E-02
 C   -1.613200       1.209800      0.2292000    
 C   -3.425100     -0.3638000      0.4570000    
 C   0.1456000     -0.9055000     -0.6325000    
 C  -0.2975000       1.518000     -0.4848000    
 C   -3.986400      -1.700500     -1.0100000E-02
 C   -4.411400      0.7690000      0.2008000    
 C    1.996600      0.6994000     -1.0300000E-02
 C    4.167600     -0.2305000      0.2707000    
 C    4.878000      -1.565400      0.1992000    
 H   -1.528900      -2.134200     -0.2860000    
 H   -1.006800      -1.254200       1.161300    
 H   -1.455800       1.226200       1.315800    
 H   -2.283100       2.035600     -2.7899999E-02
 H   -3.286300     -0.4310000       1.545400    
 H   0.8656000      -1.681300     -0.3561000    
 H   1.4300000E-02 -0.9517000      -1.720500    
 H  -0.4631000       1.640700      -1.562300    
 H   0.1204000       2.457900     -0.1096000    
 H   -3.447300      -2.554600      0.4118000    
 H   -3.981500      -1.784600      -1.102900    
 H   -5.026800      -1.815300      0.3166000    
 H   -4.466100       1.029500     -0.8625000    
 H   -5.421300      0.4754000      0.5114000    
 H   -4.175900       1.670600      0.7752000    
 H    4.607400      0.4621000     -0.4554000    
 H    4.265200      0.1871000       1.278900    
 H    5.941900      -1.455100      0.4267000    
 H    4.436600      -2.275100      0.9066000    
 H    4.773200      -2.004600     -0.7984000    


%chk=000116096-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116096

0 1
O 2.778590 -0.449899 -0.052336
O 2.460462 1.869364 0.190674
N -2.137877 -0.082367 -0.169693
N 0.694200 0.454601 -0.436950
C -1.125617 -1.154485 0.040694
C -1.556603 1.224899 0.248980
C -3.448306 -0.381749 0.503173
C 0.158364 -0.877875 -0.766545
C -0.284678 1.549018 -0.555992
C -4.037441 -1.719028 -0.004681
C -4.473003 0.749255 0.252223
C 1.996944 0.726439 -0.082112
C 4.202551 -0.236478 0.326128
C 4.872549 -1.607212 0.293027
H -1.536164 -2.117975 -0.302496
H -0.860889 -1.257503 1.125245
H -1.310367 1.231130 1.342404
H -2.287766 2.027420 0.059792
H -3.292215 -0.468853 1.612271
H 0.922468 -1.638312 -0.550336
H -0.086982 -0.913283 -1.848052
H -0.557687 1.681000 -1.622828
H 0.185375 2.476218 -0.190650
H -3.447085 -2.597718 0.307262
H -4.096531 -1.709166 -1.108547
H -5.057040 -1.853866 0.398362
H -4.559494 0.947755 -0.831943
H -5.464342 0.442122 0.630272
H -4.209106 1.691526 0.762358
H 4.657176 0.471535 -0.390342
H 4.237248 0.225057 1.329764
H 5.938648 -1.508722 0.568246
H 4.392260 -2.298753 1.006711
H 4.813958 -2.050695 -0.715982


