%chk=000057375.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057375

0 1
 O   -6.647800      -1.668400     -0.6371000    
 O   -1.218200      -1.249500     -0.3647000    
 O   -2.842600       2.725800       1.297300    
 O    4.965800      0.5307000      0.5471000    
 N   -2.314800      0.5403000      0.6557000    
 N   -4.144800     -0.9616000      0.5192000    
 N   -1.108000       2.219500     -0.1772000    
 C  -0.5193000       1.049400     -0.8082000    
 C   -3.312800     -0.1740000       1.426500    
 C   -1.373000     -5.1600002E-02 -0.1593000    
 C   0.9524000      0.9098000     -0.4446000    
 C   -2.176300       1.914500      0.6680000    
 C   -5.146400      -1.733600       1.267500    
 C   -4.808900     -9.5100001E-02 -0.4646000    
 C  -0.8543000       1.067400      -2.305300    
 C   -6.009400      -2.537600      0.2991000    
 C   -5.680700     -0.9371000      -1.391700    
 C    1.350000      0.9670000      0.8915000    
 C    1.904600      0.7254000      -1.447500    
 C    2.698700      0.8399000       1.224400    
 C    3.253200      0.5982000      -1.114600    
 C    3.650200      0.6555000      0.2213000    
 C    5.775200     -0.2680000     -0.3147000    
 C    6.881400     -0.9133000      0.5080000    
 C    7.798600      -1.772900     -0.3570000    
 C    8.927100      -2.380600      0.4607000    
 H   -2.768800     -0.8453000       2.100900    
 H   -3.900800      0.5286000       2.028300    
 H  -0.7847000       3.168100     -0.3407000    
 H   -4.653400      -2.423500       1.961800    
 H   -5.786000      -1.060400       1.853100    
 H   -5.434300      0.6490000      4.6100002E-02
 H   -4.091000      0.4407000      -1.093700    
 H  -0.5498000      0.1399000      -2.803600    
 H   -1.934500       1.170400      -2.469400    
 H  -0.3749000       1.912200      -2.813400    
 H   -5.419600      -3.288100     -0.2413000    
 H   -6.793600      -3.066800      0.8500000    
 H   -5.080400      -1.633000      -1.990400    
 H   -6.223700     -0.2870000      -2.085300    
 H   0.6271000       1.105700       1.690700    
 H    1.642900      0.6809000      -2.499300    
 H    3.002000      0.8840000       2.266800    
 H    3.964900      0.4852000      -1.927200    
 H    5.196000      -1.073500     -0.7844000    
 H    6.205300      0.3733000      -1.092600    
 H    7.460300     -0.1295000       1.012600    
 H    6.436200      -1.518300       1.307800    
 H    7.221200      -2.576900     -0.8282000    
 H    8.227500      -1.166100      -1.163000    
 H    9.570800      -2.993300     -0.1782000    
 H    8.533600      -3.018800       1.258400    
 H    9.545000      -1.600800      0.9174000    


%chk=000057375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000057375

0 1
O -7.195437 -1.165882 -0.439561
O -1.275554 -1.596017 -0.646007
O -2.942387 2.416763 1.153795
O 5.036631 0.304173 0.425434
N -2.262108 0.210148 0.526892
N -4.552878 -0.673957 0.578423
N -1.190594 1.961929 -0.395719
C -0.545100 0.789195 -1.020218
C -3.298226 -0.528223 1.297404
C -1.377882 -0.372446 -0.380238
C 0.942282 0.645802 -0.640867
C -2.202055 1.643018 0.496190
C -4.947304 -2.037384 0.164358
C -5.691913 0.150866 1.039289
C -0.757695 0.783673 -2.557195
C -6.037865 -1.942422 -0.917653
C -6.765993 0.192979 -0.060951
C 1.582361 1.573612 0.220499
C 1.698563 -0.443062 -1.139159
C 2.942481 1.435241 0.552407
C 3.061842 -0.599177 -0.809436
C 3.691742 0.349937 0.035874
C 5.859967 -0.823283 -0.055358
C 7.265534 -0.627790 0.516142
C 8.230504 -1.758943 0.090035
C 9.652161 -1.560674 0.658418
H -2.852840 -1.513032 1.528083
H -3.434853 0.041665 2.235279
H -0.991652 2.927121 -0.651380
H -4.064064 -2.561721 -0.244461
H -5.344949 -2.630953 1.023634
H -6.146536 -0.263817 1.971990
H -5.331946 1.174302 1.249776
H -0.419681 -0.174399 -2.984287
H -1.827164 0.913703 -2.798578
H -0.178170 1.599309 -3.024563
H -5.613468 -1.461536 -1.825604
H -6.436815 -2.938036 -1.173204
H -6.360764 0.718331 -0.952702
H -7.678840 0.702204 0.289648
H 1.011339 2.403411 0.648926
H 1.215755 -1.198815 -1.767337
H 3.441836 2.149773 1.213758
H 3.612426 -1.457029 -1.206080
H 5.416804 -1.779886 0.292971
H 5.878168 -0.823553 -1.165596
H 7.658058 0.350213 0.177560
H 7.201149 -0.583419 1.620230
H 7.829600 -2.735560 0.430178
H 8.278940 -1.808256 -1.017068
H 10.327606 -2.378441 0.348105
H 9.636411 -1.535195 1.764003
H 10.089776 -0.607658 0.306923


