%chk=000116898.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116898

0 1
 O   -6.883000      0.8772000      0.9587000    
 O   -7.676500      0.6142000      -1.078900    
 N   -6.801900      0.4687000     -0.2104000    
 C    2.819900      0.3609000      0.1555000    
 C    1.635300     -0.5946000     -7.1999999E-03
 C    4.147400     -0.3531000     -0.1090000    
 C   0.3096000      0.1065000      0.2939000    
 C    5.372900      0.5508000      6.1299998E-02
 C  -0.8768000     -0.8390000      9.8700002E-02
 C    6.697600     -0.1609000     -0.2267000    
 C   -2.204800     -0.1284000      0.3673000    
 C    7.923600      0.7244000      1.2500000E-02
 C   -3.392200      -1.066200      0.1392000    
 C    9.245400      1.6799999E-02 -0.2436000    
 C   -4.697200     -0.3599000      0.3707000    
 C   -5.619200     -0.2175000     -0.5823000    
 H    2.712800       1.205000     -0.5362000    
 H    2.824200      0.7732000       1.171700    
 H    1.756800      -1.451300      0.6669000    
 H    1.620900     -0.9880000      -1.030900    
 H    4.239800      -1.209200      0.5709000    
 H    4.141500     -0.7584000      -1.128500    
 H   0.3163000      0.4812000       1.324600    
 H   0.1978000      0.9758000     -0.3656000    
 H    5.278600       1.417100     -0.6050000    
 H    5.388100      0.9403000       1.086700    
 H  -0.7769000      -1.699700      0.7711000    
 H  -0.8702000      -1.227200     -0.9271000    
 H    6.701000     -0.5117000      -1.266000    
 H    6.771700      -1.052200      0.4086000    
 H   -2.218100      0.2469000       1.398500    
 H   -2.291800      0.7444000     -0.2924000    
 H    7.913300       1.086700       1.047400    
 H    7.863600       1.608300     -0.6337000    
 H   -3.329400      -1.918000      0.8270000    
 H   -3.349600      -1.474800     -0.8780000    
 H    9.308300     -0.3280000      -1.280400    
 H    10.08310      0.6962000     -5.8100000E-02
 H    9.357100     -0.8507000      0.4144000    
 H   -4.820500      9.6000005E-03   1.385800    
 H   -5.587000     -0.5537000      -1.607300    


%chk=000116898-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000116898

0 1
O -7.155024 0.912006 1.170451
O -7.976809 0.526968 -0.930373
N -7.049851 0.442667 -0.029411
C 2.881119 0.334534 0.114785
C 1.659350 -0.593330 -0.071237
C 4.231415 -0.378307 -0.122943
C 0.309714 0.118444 0.174352
C 5.455013 0.543894 0.079329
C -0.909993 -0.813782 -0.002545
C 6.805086 -0.169843 -0.157755
C -2.255254 -0.100094 0.258238
C 8.030154 0.747418 0.060262
C -3.473037 -1.052475 0.076641
C 9.373813 0.025190 -0.179048
C -4.774149 -0.381763 0.422366
C -5.813927 -0.236639 -0.436289
H 2.795444 1.198105 -0.577482
H 2.866600 0.757188 1.141349
H 1.748705 -1.458043 0.619199
H 1.671463 -1.013545 -1.098749
H 4.311964 -1.247840 0.562682
H 4.251281 -0.792636 -1.152809
H 0.301446 0.542237 1.200270
H 0.218184 0.980232 -0.518914
H 5.375743 1.414660 -0.604842
H 5.435630 0.956535 1.109965
H -0.813798 -1.678912 0.686287
H -0.906787 -1.231212 -1.030838
H 6.830933 -0.573803 -1.191680
H 6.880679 -1.046531 0.519431
H -2.262170 0.312496 1.287519
H -2.361333 0.762413 -0.428549
H 8.003910 1.149503 1.093792
H 7.953867 1.623805 -0.615436
H -3.331370 -1.921808 0.752742
H -3.493832 -1.445233 -0.957100
H 9.438569 -0.357641 -1.215187
H 10.233455 0.700532 -0.014064
H 9.485806 -0.838144 0.503927
H -4.888279 0.031373 1.435261
H -5.852230 -0.586919 -1.469499


