%chk=000133262.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133262

0 1
 O    1.892500      -1.528400      -1.391600    
 O  -0.4191000      -1.770500      -2.916400    
 N  -0.9150000      -1.459400      0.7398000    
 N    5.024400       1.078600      0.8620000    
 N   -6.783200      0.8282000      0.1235000    
 N   -7.018100      0.6192000      -1.086800    
 N   -7.238800      0.4307000      -2.190600    
 C   -1.421000     -0.3692000       1.562700    
 C  -0.9351000      -1.099400     -0.6715000    
 C   -2.869000     -4.5400001E-02   1.175000    
 C  -0.3981000      -2.224100      -1.559800    
 C  -0.4369000      0.8070000       1.393200    
 C   -1.373200     -0.8204000       3.036000    
 C    1.027900      -2.643300      -1.209300    
 C    3.555100     -0.2252000     -0.1932000    
 C    3.237800       1.142500     -0.4706000    
 C    4.674000     -0.2323000      0.6402000    
 C    2.991500      -1.460500     -0.5761000    
 C   -3.164600       1.227500      0.7496000    
 C   -3.810300      -1.042100       1.268400    
 C    4.171700       1.931200      0.2015000    
 C    5.259500      -1.412800       1.111500    
 C    3.565900      -2.649600     -0.1130000    
 C   -4.481500       1.521600      0.3963000    
 C   -5.127200     -0.7481000      0.9148000    
 C    2.238900       1.782800      -1.233800    
 C    4.158800       3.329900      0.1496000    
 C   -5.463000      0.5338000      0.4789000    
 C    4.683300      -2.623700      0.7183000    
 C    2.213000       3.180700      -1.295400    
 C    3.159800       3.940800     -0.6132000    
 H   -1.439100      -2.319300      0.8938000    
 H  -0.3346000     -0.2141000     -0.8954000    
 H   -1.947000     -0.8747000      -1.028700    
 H   -1.053400      -3.100900      -1.494500    
 H   0.5963000      0.4854000       1.579700    
 H  -0.4517000       1.296800      0.4154000    
 H  -0.6460000       1.591000       2.133400    
 H  -0.3429000      -1.020100       3.356000    
 H   -1.778500     -4.5200001E-02   3.697800    
 H   -1.946000      -1.736600       3.220300    
 H    1.038900      -3.029200     -0.1826000    
 H    1.350500      -3.434400      -1.896700    
 H   -2.446400       2.034200      0.6781000    
 H   -3.573300      -2.046900       1.601900    
 H    5.803500       1.375300       1.433400    
 H    6.130900      -1.393500       1.757400    
 H    3.191600      -3.626200     -0.4074000    
 H   -4.734200       2.524100      6.0600001E-02
 H   -5.884700      -1.524800      0.9826000    
 H    1.494400       1.208200      -1.776600    
 H   -1.341300      -1.558800      -3.140700    
 H    4.896000       3.922500      0.6808000    
 H    5.119900      -3.558400       1.061000    
 H    1.445200       3.676800      -1.883000    
 H    3.122300       5.025400     -0.6739000    


%chk=000133262-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133262

0 1
O 1.790477 -1.510252 -0.804137
O 0.093255 -2.718123 -2.868027
N -1.312914 -2.417053 0.634080
N 4.651595 1.956292 0.482971
N -5.707108 2.234978 -0.463154
N -5.573565 3.483575 -0.616590
N -5.648065 4.648983 -0.834278
C -1.589971 -1.336651 1.640862
C -1.038773 -2.017749 -0.759115
C -2.653366 -0.333602 1.111842
C -0.038983 -2.991061 -1.427888
C -0.252933 -0.645513 2.000908
C -2.132055 -2.044385 2.911825
C 1.363860 -2.918062 -0.830103
C 3.342914 0.167139 -0.118672
C 2.672796 1.383557 -0.553051
C 4.569510 0.553657 0.515857
C 3.013831 -1.211647 -0.195593
C -2.402144 1.054835 0.969627
C -3.928101 -0.814096 0.701352
C 3.515554 2.482350 -0.156432
C 5.475185 -0.387023 1.055776
C 3.908684 -2.169150 0.338124
C -3.377808 1.936055 0.456529
C -4.915762 0.045410 0.190739
C 1.463020 1.651200 -1.239004
C 3.168940 3.824232 -0.417197
C -4.643418 1.430993 0.068199
C 5.121290 -1.747464 0.950242
C 1.110311 2.992708 -1.502316
C 1.952109 4.065240 -1.093491
H -2.001494 -3.177956 0.697440
H -0.596505 -1.009040 -0.770779
H -1.962276 -1.970042 -1.387403
H -0.398244 -4.035613 -1.274555
H 0.447082 -1.407962 2.381473
H 0.224145 -0.165979 1.129217
H -0.396672 0.119963 2.784826
H -1.394819 -2.786243 3.267919
H -2.311605 -1.309599 3.715022
H -3.087420 -2.567125 2.716763
H 1.331759 -3.316639 0.202392
H 2.061642 -3.510899 -1.452514
H -1.429881 1.467353 1.254590
H -4.155523 -1.884671 0.777825
H 5.420651 2.504683 0.860031
H 6.410488 -0.081536 1.535009
H 3.684714 -3.237580 0.284403
H -3.151734 3.004687 0.359236
H -5.895715 -0.331300 -0.118064
H 0.832064 0.823175 -1.574582
H -0.808541 -2.576227 -3.254230
H 3.815874 4.654475 -0.112782
H 5.797835 -2.509849 1.352650
H 0.180546 3.213982 -2.038134
H 1.655664 5.097267 -1.312939


