%chk=000141633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141633

0 1
 O   -6.178800     -0.4611000     -0.3512000    
 N  -0.2201000      0.2418000      0.7011000    
 N  -0.6324000     -0.2784000     -0.3622000    
 C    6.043600     -0.1609000     -0.5808000    
 C    5.456400      0.4320000      0.7019000    
 C    7.571700     -0.1369000     -0.5530000    
 C    3.949900      0.3809000      0.7008000    
 C    8.161900     -0.7617000      -1.807100    
 C    3.232600       1.447800      0.1808000    
 C    3.305200     -0.7317000       1.220700    
 C    1.838500       1.401300      0.1806000    
 C    1.911100     -0.7783000       1.220400    
 C    1.177600      0.2882000      0.7002000    
 C   -2.037100     -0.3248000     -0.3609000    
 C   -4.818400     -0.4163000     -0.3543000    
 C   -2.764100      0.7421000     -0.8793000    
 C   -2.690200      -1.437300      0.1608000    
 C   -4.158200      0.6964000     -0.8758000    
 C   -4.084300      -1.483100      0.1642000    
 C   -6.869200      0.7835000     -0.2501000    
 C   -8.195700      0.5565000      0.4432000    
 H    5.682400      0.4000000      -1.452100    
 H    5.696700      -1.194600     -0.7055000    
 H    5.789700       1.470700      0.8241000    
 H    5.839500     -0.1080000       1.577500    
 H    7.926000      0.8966000     -0.4634000    
 H    7.937200     -0.6829000      0.3245000    
 H    7.840400     -0.2212000      -2.703100    
 H    7.853700      -1.807400      -1.907100    
 H    9.255300     -0.7324000      -1.766700    
 H    3.738000       2.318400     -0.2276000    
 H    3.867500      -1.567800       1.626400    
 H    1.275900       2.237500     -0.2265000    
 H    1.405300      -1.649800       1.628100    
 H   -2.257200       1.609700      -1.293400    
 H   -2.125900      -2.272800      0.5663000    
 H   -4.690900       1.535200      -1.313900    
 H   -4.593100      -2.352400      0.5720000    
 H   -6.308000       1.514500      0.3454000    
 H   -7.040200       1.182900      -1.255900    
 H   -8.757900       1.490600      0.5286000    
 H   -8.800300     -0.1699000     -0.1099000    
 H   -8.041400      0.1439000       1.445800    


%chk=000141633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000141633

0 1
O -6.431731 0.028852 -0.468093
N -0.105502 0.490793 0.367625
N -0.806936 0.459026 -0.740958
C 6.309589 -0.521524 -0.273768
C 5.667351 0.877469 -0.047604
C 7.851384 -0.464607 -0.361717
C 4.151590 0.815114 0.035949
C 8.487022 -1.852434 -0.593571
C 3.358662 0.796206 -1.147514
C 3.489857 0.727967 1.288413
C 1.959185 0.690762 -1.091619
C 2.086571 0.622008 1.359751
C 1.307967 0.600501 0.172755
C -2.216861 0.351132 -0.552432
C -5.039045 0.135534 -0.422335
C -2.875157 0.291567 0.708264
C -2.994549 0.302463 -1.743999
C -4.274288 0.185079 0.778057
C -4.391458 0.195042 -1.684405
C -7.172702 -0.037574 0.810755
C -8.652135 -0.153120 0.455572
H 5.900101 -0.963850 -1.204403
H 6.007691 -1.198028 0.551032
H 5.976743 1.542058 -0.878847
H 6.082421 1.311272 0.883201
H 8.145340 0.221220 -1.182699
H 8.254517 -0.022003 0.572169
H 8.124042 -2.301885 -1.537018
H 8.231593 -2.547645 0.228185
H 9.589134 -1.787969 -0.651793
H 3.858012 0.871584 -2.121997
H 4.081597 0.747014 2.211627
H 1.346629 0.679478 -1.998367
H 1.565030 0.557312 2.320642
H -2.265707 0.330696 1.616495
H -2.471621 0.350348 -2.704640
H -4.762663 0.141239 1.756094
H -5.003563 0.155539 -2.590079
H -6.825688 -0.917651 1.389584
H -6.968607 0.879490 1.400035
H -9.259691 -0.209774 1.377000
H -8.982347 0.722632 -0.128408
H -8.839079 -1.060533 -0.143340


