%chk=000115559.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115559

0 1
 O   -4.120400      -1.359500      -1.538900    
 N   -3.016500     -0.4199000      0.2545000    
 N  -0.5331000      0.9767000      0.1676000    
 C   -1.787700      -1.187800      0.1670000    
 C   -2.760700      0.6116000       1.248700    
 C   -1.429500      -1.389200       1.645900    
 C   -2.076100     -0.1885000       2.367400    
 C  -0.7557000     -0.2925000     -0.5562000    
 C   -1.791200       1.623900      0.5957000    
 C   0.3037000       1.891000     -0.6015000    
 C   -4.087500     -0.5615000     -0.6008000    
 C    1.654500       1.245400     -0.9059000    
 C   -5.267400      0.3319000     -0.3197000    
 C    2.406700      0.9069000      0.3837000    
 C   -6.348300      9.8999999E-02  -1.347800    
 C    3.725800      0.2349000      9.9900000E-02
 C    3.779800      -1.147900      5.2000000E-03
 C    4.864800       1.009700     -6.1500002E-02
 C    5.000400      -1.769800     -0.2574000    
 C    6.085500      0.3877000     -0.3240000    
 C    6.153200      -1.002100     -0.4219000    
 H   -1.931000      -2.130900     -0.3691000    
 H   -3.670400       1.110500       1.591100    
 H  -0.3510000      -1.454400       1.821600    
 H   -1.882100      -2.315400       2.020200    
 H   -2.825400     -0.5607000       3.076400    
 H   -1.349400      0.4022000       2.934200    
 H   -1.107200     -9.3999997E-02  -1.577500    
 H   0.1694000     -0.8742000     -0.6193000    
 H   -1.562000       2.416400       1.317900    
 H   -2.288700       2.089200     -0.2657000    
 H   0.4733000       2.812800     -3.0999999E-02
 H  -0.1832000       2.178400      -1.541900    
 H    2.249300       1.969100      -1.479900    
 H    1.564100      0.3742000      -1.564000    
 H   -5.651300      0.1147000      0.6826000    
 H   -4.948100       1.378400     -0.3590000    
 H    2.578700       1.819700      0.9692000    
 H    1.816400      0.2486000       1.032800    
 H   -7.204800      0.7513000      -1.149400    
 H   -6.705800     -0.9362000      -1.327700    
 H   -5.992100      0.3143000      -2.361100    
 H    2.887100      -1.754300      0.1296000    
 H    4.822000       2.092800      1.0900000E-02
 H    5.053000      -2.851900     -0.3343000    
 H    6.983000      0.9855000     -0.4527000    
 H    7.103500      -1.486300     -0.6266000    


%chk=000115559-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000115559

0 1
O -4.391979 -1.439170 -1.455420
N -3.134928 -0.413787 0.198061
N -0.584800 0.900615 -0.065492
C -1.902256 -1.213242 -0.013513
C -2.729532 0.629518 1.172402
C -1.407171 -1.438370 1.445322
C -1.951545 -0.200749 2.238978
C -0.913913 -0.335805 -0.824998
C -1.790590 1.614988 0.425039
C 0.358207 1.802612 -0.769082
C -4.288360 -0.546397 -0.553512
C 1.775383 1.213057 -0.937841
C -5.432780 0.428032 -0.220438
C 2.450093 0.858299 0.415113
C -6.711217 0.115075 -1.018195
C 3.824088 0.233846 0.230335
C 3.968143 -1.168449 0.061915
C 4.991761 1.039274 0.180160
C 5.238244 -1.749468 -0.153298
C 6.264953 0.464237 -0.033987
C 6.392917 -0.934032 -0.203100
H -2.145733 -2.132888 -0.567221
H -3.597175 1.168449 1.584303
H -0.306357 -1.494583 1.486823
H -1.821807 -2.380050 1.844847
H -2.633429 -0.515618 3.048135
H -1.133193 0.393711 2.677785
H -1.373593 -0.109899 -1.819320
H 0.017465 -0.902214 -1.006126
H -1.462822 2.420832 1.109567
H -2.373209 2.090309 -0.406735
H 0.428763 2.733965 -0.172088
H -0.034801 2.094301 -1.777515
H 2.395887 1.955434 -1.477734
H 1.749510 0.313999 -1.583293
H -5.641126 0.389813 0.867816
H -5.094378 1.462993 -0.433481
H 2.527723 1.782799 1.021310
H 1.776029 0.174533 0.964259
H -7.502544 0.850903 -0.786043
H -7.085388 -0.894931 -0.780214
H -6.509410 0.136796 -2.102069
H 3.077840 -1.809051 0.107939
H 4.901235 2.124720 0.316014
H 5.329028 -2.834931 -0.276548
H 7.155164 1.103169 -0.064943
H 7.379196 -1.382845 -0.366616


