%chk=000059363.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000059363

0 1
 O    1.086100       1.620600       2.608400    
 N  -0.9801000     -0.5025000      0.9526000    
 N   -3.531000       1.940800     -0.2550000    
 N    1.679400      0.4181000      0.6813000    
 C   -1.968500      0.5718000       1.039400    
 C   -2.532100      0.8813000     -0.3443000    
 C   -1.643500      -1.805000      0.9069000    
 C  -5.5500001E-02 -0.4391000       2.083900    
 C   -3.715100       2.585800      -1.555900    
 C   -4.804200       1.407900      0.2327000    
 C  -0.7655000      -2.860400      0.2890000    
 C   0.9579000      0.6673000       1.847000    
 C   -4.242800       1.602200      -2.586600    
 C   -5.835800       2.511600      0.3930000    
 C  -0.8058000      -3.082900      -1.087500    
 C   8.8699996E-02  -3.615600       1.092700    
 C    2.709900       1.208000      0.1181000    
 C   7.6000001E-03  -4.060500      -1.660200    
 C   0.9024000      -4.593100      0.5198000    
 C    3.342300      0.8225000      -1.063900    
 C   0.8617000      -4.815500     -0.8567000    
 C    3.091300       2.385900      0.7609000    
 C    4.355900       1.614600      -1.603000    
 C    2.954500     -0.4340000      -1.774100    
 C    4.104900       3.178000      0.2217000    
 C    4.737100       2.792500     -0.9601000    
 H   -1.505800       1.497000       1.409000    
 H   -2.743300      0.3105000       1.769700    
 H   -1.689100       1.206600     -0.9702000    
 H   -2.943400     -1.7899999E-02 -0.8158000    
 H   -2.567600      -1.775900      0.3162000    
 H   -1.971700      -2.123400       1.906900    
 H  -0.5752000     -0.2638000       3.034200    
 H   0.5449000      -1.341900       2.215300    
 H   -4.365200       3.464700      -1.491300    
 H   -2.753000       2.986200      -1.901500    
 H   -5.207800      0.5879000     -0.3718000    
 H   -4.662800      0.9883000       1.234900    
 H   -3.594800      0.7348000      -2.739000    
 H   -5.259600       1.257800      -2.379500    
 H   -4.293500       2.111900      -3.556700    
 H   -5.428200       3.371700      0.9354000    
 H   -6.237500       2.854900     -0.5651000    
 H   -6.686700       2.136200      0.9729000    
 H   -1.464600      -2.499200      -1.725200    
 H   0.1132000      -3.481900       2.170400    
 H    1.438100     -0.4273000      0.1708000    
 H  -2.3399999E-02  -4.233200      -2.732100    
 H    1.562300      -5.186200       1.146300    
 H    1.494200      -5.577600      -1.302500    
 H    2.654600       2.756800       1.676500    
 H    4.859400       1.329600      -2.523000    
 H    3.116700      -1.305800      -1.131400    
 H    1.903300     -0.3952000      -2.079000    
 H    3.548400     -0.5875000      -2.681900    
 H    4.402700       4.095600      0.7209000    
 H    5.526300       3.409400      -1.379900    


%chk=000059363-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000059363

0 1
O 1.890665 0.949034 2.929995
N -0.878758 -0.648669 1.115088
N -3.437470 1.796674 -0.327638
N 1.478028 0.583577 0.624609
C -1.839742 0.496164 1.086701
C -2.305656 0.841521 -0.348103
C -1.575052 -1.970460 1.048338
C 0.074491 -0.556949 2.250850
C -3.366158 2.852770 -1.369119
C -4.753032 1.123667 -0.186585
C -0.651097 -3.111323 0.644466
C 1.238215 0.422248 1.979490
C -3.557098 2.385540 -2.838871
C -5.893133 2.081198 0.205684
C -0.022147 -3.106392 -0.627508
C -0.417400 -4.202648 1.516153
C 2.480330 1.348843 -0.029039
C 0.822388 -4.167521 -1.017683
C 0.429254 -5.268622 1.130122
C 2.549273 1.282125 -1.457633
C 1.051719 -5.253184 -0.138043
C 3.391099 2.163212 0.696610
C 3.536135 2.048926 -2.118322
C 1.596640 0.402545 -2.250141
C 4.363919 2.915071 0.005586
C 4.442620 2.865202 -1.403805
H -1.340401 1.385679 1.508235
H -2.724236 0.293837 1.733971
H -1.455749 1.304497 -0.883923
H -2.553137 -0.096344 -0.904203
H -2.384632 -1.869071 0.301422
H -2.065765 -2.210958 2.021558
H -0.402738 -0.244835 3.204786
H 0.525035 -1.553912 2.418371
H -4.120568 3.624694 -1.130784
H -2.380729 3.346164 -1.268210
H -5.038401 0.564554 -1.114399
H -4.646429 0.361826 0.609641
H -2.800032 1.630997 -3.123192
H -4.557458 1.944618 -3.001343
H -3.452542 3.244516 -3.527531
H -5.618716 2.650663 1.111178
H -6.126868 2.802041 -0.598213
H -6.815232 1.508628 0.415279
H -0.203522 -2.265503 -1.308248
H -0.900872 -4.220091 2.501112
H 0.785412 0.060007 0.062811
H 1.299609 -4.153747 -2.004223
H 0.603391 -6.104575 1.816692
H 1.708719 -6.076553 -0.439558
H 3.322309 2.189449 1.786125
H 3.594212 2.001237 -3.212645
H 1.685737 -0.663581 -1.960576
H 0.536733 0.695960 -2.106240
H 1.810358 0.471476 -3.329694
H 5.061177 3.539993 0.574790
H 5.198002 3.449180 -1.940591


