%chk=000073345.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000073345

0 1
 O   -2.708400       1.074700       1.286300    
 O   -2.477500      0.7494000     -0.9580000    
 O   -1.898700      -2.164200      -1.216200    
 O   -2.020100      -1.624600      0.9918000    
 N   1.8900000E-02   1.906500     -0.7984000    
 C   0.3190000      4.1000001E-02  0.6222000    
 C    1.708600      0.6543000      0.3706000    
 C  -0.5521000       1.277900      0.3929000    
 C    1.465100       1.651900     -0.7693000    
 C  -9.8999999E-03  -1.141300     -0.3001000    
 C    2.827800     -0.2983000      0.1125000    
 C   -1.995300       1.002900      0.1359000    
 C    3.588400     -0.7673000       1.317200    
 C   -1.401400      -1.651000     -6.1500002E-02
 C    3.135500     -0.7119000      -1.125800    
 H   0.2359000     -0.2870000       1.666600    
 H    1.970300       1.255800       1.255300    
 H  -0.4580000       1.979800       1.232300    
 H    2.001600       2.585100     -0.5571000    
 H    1.760100       1.347700      -1.773200    
 H  -0.1759000       2.906200     -0.8138000    
 H   8.6199999E-02 -0.8492000      -1.352400    
 H   0.6663000      -1.982900     -0.1150000    
 H    4.063000      7.9800002E-02   1.822800    
 H    2.913600      -1.261500       2.023800    
 H    4.375900      -1.481900       1.055500    
 H    3.959800      -1.403200      -1.278400    
 H    2.590800     -0.4424000      -2.020200    
 H   -3.661500      0.8956000       1.138100    
 H   -2.810500      -2.507200      -1.100600    


%chk=000073345-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000073345

0 1
O -2.638413 1.450620 1.532830
O -2.676878 0.892072 -0.721935
O -1.510456 -2.845872 -0.875156
O -1.786094 -1.770562 1.160095
N 0.048838 2.085457 -0.812751
C 0.304485 0.163814 0.528817
C 1.735055 0.731571 0.205283
C -0.526216 1.487159 0.398531
C 1.465499 1.682111 -0.994823
C -0.130517 -0.919938 -0.481550
C 2.831943 -0.315036 0.063823
C -2.029596 1.240245 0.288274
C 3.051642 -1.184177 1.293246
C -1.208696 -1.838332 0.050125
C 3.601086 -0.461490 -1.048490
H 0.234662 -0.225476 1.558344
H 2.004942 1.365033 1.079313
H -0.370489 2.079283 1.328859
H 2.163369 2.543444 -0.981542
H 1.599762 1.157845 -1.962098
H -0.216363 3.042778 -1.045376
H -0.510716 -0.451660 -1.409781
H 0.730630 -1.546076 -0.784044
H 3.232683 -0.560412 2.190796
H 2.163242 -1.806908 1.516268
H 3.914261 -1.859070 1.163511
H 4.397890 -1.213577 -1.088639
H 3.474543 0.158671 -1.941846
H -3.591424 1.167888 1.482891
H -2.241175 -3.414704 -0.509175


