%chk=000042470.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042470

0 1
 O   -4.614200       1.658100     -0.2738000    
 O    7.712800      -1.330100     -5.8499999E-02
 N   0.5125000       1.617900     -0.2151000    
 C   -5.411600     -0.5821000     -0.1772000    
 C   -5.738100     -0.9178000       1.279600    
 C   -6.650700     -9.3199998E-02 -0.9305000    
 C   -6.895100      -1.907700       1.384600    
 C   -7.805800      -1.084900     -0.8202000    
 C   -8.128400      -1.413900      0.6343000    
 C   -4.335100      0.4608000     -0.2327000    
 C   -2.906100     -5.3199999E-02 -0.2328000    
 C   -1.877000       1.075600     -0.2557000    
 C  -0.4530000      0.5253000     -0.2130000    
 C    1.813600       1.155200     -0.7014000    
 C    2.170100     -0.1812000     -2.5000000E-02
 C   0.6462000       2.190100       1.125800    
 C    1.744900       1.040900      -2.224400    
 C    3.648500     -0.4880000     -3.4200002E-02
 C    1.649900       3.330600       1.138400    
 C    4.207400      -1.198400      -1.096700    
 C    4.455500     -6.0699999E-02   1.020100    
 C    5.573100      -1.481500      -1.104600    
 C    5.821300     -0.3437000       1.012200    
 C    6.380100      -1.054200     -5.0200000E-02
 C    8.479400     -0.8637000       1.050900    
 H   -5.042400      -1.482900     -0.6845000    
 H   -5.993500     -8.9999998E-04   1.827100    
 H   -4.856700      -1.337300       1.779100    
 H   -6.985300      0.8750000     -0.5353000    
 H   -6.407900      7.1400002E-02  -1.987600    
 H   -7.145900      -2.071100       2.438900    
 H   -6.583400      -2.877100      0.9765000    
 H   -7.546100      -2.007400      -1.354000    
 H   -8.694500     -0.6721000      -1.310800    
 H   -8.914500      -2.176500      0.6744000    
 H   -8.524300     -0.5199000       1.131500    
 H   -2.776900     -0.6914000      -1.114000    
 H   -2.764800     -0.6644000      0.6650000    
 H   -2.072100       1.735900      0.5967000    
 H   -2.016700       1.681700      -1.160400    
 H  -0.3585000     -0.1155000      -1.096600    
 H  -0.3499000     -0.1278000      0.6637000    
 H    2.606600       1.887500     -0.5287000    
 H    1.648800      -1.024600     -0.4983000    
 H    1.871700     -0.2140000       1.029500    
 H   0.9147000       1.458400       1.895800    
 H  -0.3132000       2.620000       1.434200    
 H    1.358800       1.964700      -2.671100    
 H    2.746500      0.8856000      -2.640400    
 H    1.123700      0.2103000      -2.572600    
 H    1.490100       3.942400       2.034100    
 H    1.532900       3.993700      0.2742000    
 H    2.685800       2.982400       1.191900    
 H    3.589700      -1.538900      -1.923300    
 H    4.031600      0.4964000       1.851600    
 H    6.002700      -2.035500      -1.934800    
 H    6.389700      1.8600000E-02   1.861900    
 H    9.516100      -1.171400      0.8796000    
 H    8.157600      -1.331700       1.987500    
 H    8.476200      0.2299000       1.110800    


%chk=000042470-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042470

0 1
O -4.669961 1.713220 -0.145914
O 8.016047 -1.336242 -0.753064
N 0.573266 1.361671 0.343661
C -5.571347 -0.550952 -0.164060
C -6.329506 -0.530992 1.200722
C -6.557396 -0.257166 -1.329005
C -7.515533 -1.522795 1.199765
C -7.747074 -1.244534 -1.325514
C -8.489311 -1.235777 0.032062
C -4.430687 0.474599 -0.124052
C -3.008018 -0.077406 -0.027291
C -1.904798 0.990358 0.073259
C -0.509769 0.352625 0.255789
C 1.896224 0.935300 -0.199845
C 2.446441 -0.386950 0.458982
C 0.655697 2.042547 1.660930
C 1.872628 0.841582 -1.738861
C 3.916667 -0.638554 0.171817
C 1.135709 3.504378 1.553218
C 4.336871 -1.608710 -0.778772
C 4.921918 0.114938 0.827600
C 5.698991 -1.818146 -1.064506
C 6.296025 -0.077498 0.556370
C 6.685348 -1.050164 -0.397439
C 9.068986 -0.565703 -0.090266
H -5.138271 -1.563949 -0.302967
H -6.699043 0.498956 1.374108
H -5.632162 -0.771067 2.027932
H -6.921646 0.782407 -1.218169
H -6.022511 -0.308388 -2.297706
H -8.049171 -1.464912 2.168367
H -7.129503 -2.559335 1.107355
H -7.375866 -2.270468 -1.531036
H -8.445851 -0.988196 -2.145279
H -9.308885 -1.980179 0.025606
H -8.957181 -0.241441 0.184662
H -2.845632 -0.733499 -0.910470
H -2.975802 -0.767792 0.844866
H -2.137897 1.672781 0.911894
H -1.898412 1.619344 -0.834723
H -0.307631 -0.296247 -0.617375
H -0.529996 -0.322554 1.150109
H 2.607729 1.741626 0.066337
H 1.839609 -1.241517 0.102235
H 2.289160 -0.310171 1.553928
H 1.313134 1.486525 2.376928
H -0.354775 2.038713 2.108949
H 1.528314 1.798659 -2.166706
H 2.881435 0.616504 -2.127435
H 1.192470 0.043902 -2.092963
H 1.174517 3.975895 2.553547
H 0.446627 4.082687 0.913873
H 2.146062 3.572928 1.110459
H 3.583233 -2.211341 -1.300534
H 4.629651 0.863852 1.575312
H 6.022392 -2.567864 -1.793310
H 7.040548 0.522527 1.088739
H 10.011699 -0.942319 -0.513984
H 9.061501 -0.729360 1.005481
H 8.971538 0.517368 -0.302115


