%chk=000075492.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000075492

0 1
 O   -1.679900       4.207000      7.7000000E-03
 O   -3.797600      -3.084000     -9.1000004E-03
 O    5.246400     -0.8755000      6.6000000E-03
 N  -0.3407000       2.306400     -5.5000000E-03
 N   -1.648600      -2.196700      5.5000000E-03
 N    2.905500      -1.077800     -6.9999998E-04
 N   -1.025000      6.3699998E-02  1.2000001E-03
 N    1.305100      0.6364000     -2.4000001E-03
 N   0.6360000      -1.668000      3.3000000E-03
 C  -3.8999999E-03  0.9356000     -1.9000000E-03
 C  -0.6298000      -1.219600      3.4000000E-03
 C    1.575200     -0.6914000      3.0000001E-04
 C   -1.692600       2.778800     -5.4000001E-03
 C   -3.043200      -1.871200      5.9000002E-03
 C    4.015800     -0.1505000     -3.8999999E-03
 C   -2.995800       4.744700      6.0000003E-04
 C   -5.196800      -2.833000     -1.7000000E-03
 C    6.369900     -4.8000002E-03 -4.0000002E-03
 H   0.4243000       2.970300     -9.2000002E-03
 H   -1.358400      -3.167100      8.0000004E-03
 H    3.102900      -2.071400      6.9999998E-04
 H   -2.222200       2.419800      0.8847000    
 H   -2.216100       2.434400     -0.9049000    
 H   -3.298000      -1.283000     -0.8834000    
 H   -3.300700      -1.301300      0.9063000    
 H    3.971500      0.4886000      0.8857000    
 H    3.977100      0.4745000     -0.9037000    
 H   -3.546300       4.421800      0.8895000    
 H   -3.529200       4.439900     -0.9048000    
 H   -2.922200       5.835400      1.2300000E-02
 H   -5.483900      -2.291400      0.9046000    
 H   -5.718900      -3.793500     -1.5000000E-02
 H   -5.488600      -2.264100     -0.8897000    
 H    7.277800     -0.6138000      5.9000002E-03
 H    6.367800      0.6342000      0.8843000    
 H    6.370500      0.6089000     -0.9100000    


%chk=000075492-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000075492

0 1
O -1.623484 4.254612 0.006518
O -3.715604 -3.169971 -0.006603
O 5.174725 -0.901784 0.006369
N -0.376493 2.326938 -0.008791
N -1.644143 -2.178651 0.006703
N 2.882727 -1.024369 -0.003178
N -1.076881 0.093734 -0.000957
N 1.299279 0.698016 -0.006118
N 0.634336 -1.662448 0.001714
C -0.042261 1.000048 -0.004931
C -0.664914 -1.222851 0.002261
C 1.566846 -0.651343 -0.002388
C -1.752119 2.802314 -0.007834
C -3.065337 -1.865292 0.007720
C 3.979780 -0.067266 -0.006674
C -2.918187 4.925317 0.003505
C -5.169711 -3.063304 -0.001293
C 6.400436 -0.111912 -0.000161
H 0.369016 3.023866 -0.013308
H -1.371491 -3.162283 0.010627
H 3.115103 -2.018177 -0.001262
H -2.301168 2.434600 0.888009
H -2.297697 2.453751 -0.913781
H -3.342810 -1.264536 -0.887560
H -3.347744 -1.283862 0.914559
H 3.936196 0.593498 0.887947
H 3.945903 0.577577 -0.913496
H -3.518438 4.660777 0.900397
H -3.505771 4.677206 -0.906411
H -2.703533 6.004831 0.014914
H -5.538869 -2.544096 0.909234
H -5.552126 -4.095358 -0.012103
H -5.543975 -2.523464 -0.897594
H 7.229810 -0.835485 0.010720
H 6.470756 0.541773 0.895544
H 6.475243 0.519895 -0.911097


