%chk=000003078.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000003078

0 1
 O  -0.2449000      0.1679000     -0.1430000    
 O    4.449000      0.9402000     -0.1893000    
 O   0.3020000      -3.832900      0.3681000    
 N   0.7786000       2.504900      0.5419000    
 C    2.083500      0.5484000     -0.1651000    
 C    1.020000     -0.3491000     -6.3400000E-02
 C    1.826000       2.009900     -0.3505000    
 C    1.267800      -1.706700      0.1104000    
 C    3.395500      8.1100002E-02 -9.2100002E-02
 C   -1.235100      -2.030900      0.1287000    
 C   -1.321600     -0.6970000     -4.9300000E-02
 C   0.1281000      -2.630200      0.2166000    
 C    2.581000      -2.179300      0.1833000    
 C    3.643700      -1.280700      8.1600003E-02
 C   -2.605600      9.2000002E-03 -0.1617000    
 C   -2.379200      -2.994100      0.2626000    
 C   0.5588000       3.934900      0.3286000    
 C    1.130600       2.244500       1.937400    
 C   -3.233000      0.5032000      0.9824000    
 C   -3.197600      0.1862000      -1.412400    
 C   -4.451400       1.173800      0.8755000    
 C   -4.416100      0.8568000      -1.519200    
 C    4.963000       1.189300      -1.495900    
 C   -5.042900       1.350600     -0.3752000    
 H    2.736200       2.603000     -0.1996000    
 H    1.524900       2.160100      -1.395800    
 H    2.794900      -3.235700      0.3189000    
 H    4.664200      -1.649700      0.1397000    
 H   -2.328700      -3.510100       1.227300    
 H   -2.336800      -3.744500     -0.5339000    
 H   -3.358700      -2.512000      0.2032000    
 H   0.2675000       4.128500     -0.7099000    
 H    1.450100       4.531600      0.5543000    
 H  -0.2646000       4.294700      0.9556000    
 H   0.3708000       2.675000       2.601300    
 H    2.096100       2.688000       2.209000    
 H    1.156300       1.179900       2.187900    
 H   -2.783500      0.3743000       1.964100    
 H   -2.720800     -0.1925000      -2.313300    
 H   -4.939400       1.558600       1.766100    
 H   -4.876700      0.9946000      -2.493100    
 H    4.181900       1.576300      -2.157700    
 H    5.390100      0.2737000      -1.917100    
 H    5.754900       1.938900      -1.414900    
 H   -5.991600       1.872900     -0.4584000    


%chk=000003078-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000003078

0 1
O -0.457224 0.078467 -0.416385
O 4.160190 1.272265 -0.387172
O 0.333116 -3.993777 -0.195696
N 0.879042 2.648272 0.822529
C 1.851275 0.671229 -0.384534
C 0.870736 -0.349554 -0.359537
C 1.451404 2.134093 -0.458305
C 1.175120 -1.733339 -0.304647
C 3.205845 0.245639 -0.363669
C -1.296592 -2.209402 -0.233678
C -1.520040 -0.843903 -0.326549
C 0.090232 -2.738234 -0.252423
C 2.541300 -2.107598 -0.283022
C 3.552238 -1.138100 -0.314787
C -2.800499 -0.098204 -0.298531
C -2.394860 -3.235295 -0.057949
C 0.281886 3.986461 0.630439
C 1.855366 2.633022 1.932231
C -2.822475 1.199869 0.290076
C -3.998269 -0.620206 -0.858668
C -4.022003 1.938456 0.339486
C -5.194032 0.127632 -0.811435
C 5.578826 0.901212 -0.386474
C -5.213943 1.405658 -0.206855
H 2.334670 2.733360 -0.779120
H 0.662541 2.246274 -1.225255
H 2.772930 -3.176542 -0.237932
H 4.599796 -1.450409 -0.297539
H -1.970979 -4.109789 0.463720
H -2.767355 -3.607475 -1.031810
H -3.251740 -2.839799 0.512097
H -0.504307 3.935955 -0.144861
H 1.024275 4.766116 0.319378
H -0.183968 4.321834 1.574592
H 1.356126 2.957827 2.862796
H 2.736358 3.299679 1.752920
H 2.230770 1.606903 2.084252
H -1.893716 1.609150 0.703788
H -3.990747 -1.592248 -1.358828
H -4.028889 2.930152 0.805453
H -6.107448 -0.284370 -1.254321
H 5.835435 0.294143 -1.275485
H 5.850846 0.350413 0.533944
H 6.120956 1.857463 -0.419993
H -6.144894 1.982300 -0.168544


