%chk=000021572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000021572

0 1
 O   -2.393200       2.615800     -7.3600002E-02
 O    3.378000      0.5783000     -0.1100000    
 O   -1.066000      -3.259500      0.1334000    
 N   -1.273400      0.6955000     -0.8060000    
 N    1.180000      0.6800000     -0.9002000    
 N  -3.7900001E-02  -1.406000     -0.8529000    
 C  -5.4499999E-02   1.431600      -1.160300    
 C   -1.297300     -0.7314000      -1.161200    
 C    1.159600     -0.7141000      -1.332800    
 C   -2.359000       1.403000     -0.2769000    
 C    2.342300       1.204900     -0.3293000    
 C  -5.6600001E-02  -2.647400     -0.2131000    
 C   -3.574800      0.6531000      6.6200003E-02
 C    2.350500       2.625600      4.4700000E-02
 C    1.229500      -3.285100      9.7400002E-02
 C   -3.721900      0.1190000       1.343700    
 C    1.943900       3.008500       1.320200    
 C    1.851100      -3.032800       1.317600    
 C   -4.573900      0.4801000     -0.8880000    
 C    2.764400       3.582200     -0.8785000    
 C    1.820800      -4.138700     -0.8301000    
 C   -4.876300     -0.5932000       1.669300    
 C    1.951400       4.357500       1.675000    
 C    3.072700      -3.638200       1.612200    
 C   -5.728300     -0.2320000     -0.5624000    
 C    2.772100       4.931100     -0.5237000    
 C    3.042300      -4.744200     -0.5356000    
 C   -5.879400     -0.7686000      0.7162000    
 C    2.365500       5.318800      0.7531000    
 C    3.668400      -4.494000      0.6856000    
 H  -9.5399998E-02   1.616100      -2.240600    
 H  -4.7699999E-02   2.404000     -0.6651000    
 H   -2.131400      -1.250300     -0.6862000    
 H   -1.447000     -0.7918000      -2.245800    
 H    1.129500     -0.7216000      -2.429000    
 H    2.075500      -1.223000      -1.029900    
 H   -2.945300      0.2495000       2.092700    
 H    1.618400       2.267000       2.045000    
 H    1.395600      -2.366400       2.045400    
 H   -4.465200      0.8936000      -1.887100    
 H    3.082300       3.290200      -1.875900    
 H    1.341300      -4.339500      -1.784600    
 H   -4.993700      -1.011500       2.664700    
 H    1.634300       4.659400       2.668900    
 H    3.560500      -3.442800       2.562700    
 H   -6.509300     -0.3690000      -1.304600    
 H    3.094200       5.679700      -1.241600    
 H    3.506300      -5.410300      -1.257200    
 H   -6.778100      -1.323400      0.9695000    
 H    2.371100       6.369100       1.029200    
 H    4.619700      -4.965200      0.9148000    


%chk=000021572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000021572

0 1
O -2.187247 2.557998 -0.426581
O 3.293951 0.617696 -0.430299
O -1.116957 -3.172423 -0.409119
N -1.242349 0.641864 -1.319526
N 1.166997 0.748389 -1.335869
N 0.053622 -1.392353 -1.316314
C -0.068364 1.410505 -1.794874
C -1.207569 -0.762139 -1.770390
C 1.244374 -0.660104 -1.787936
C -2.237110 1.292964 -0.575053
C 2.225401 1.293330 -0.593397
C 0.000317 -2.581578 -0.573877
C -3.368840 0.501660 0.023419
C 2.107223 2.678136 -0.015866
C 1.262036 -3.166817 0.001369
C -3.195520 -0.729317 0.708753
C 0.951946 3.159858 0.653469
C 2.250807 -2.402719 0.674607
C -4.656034 1.101697 -0.014528
C 3.274742 3.486917 -0.057596
C 1.388336 -4.581032 -0.046319
C -4.300430 -1.359880 1.322032
C 0.959685 4.441924 1.245925
C 3.360446 -3.045269 1.266709
C -5.759219 0.462318 0.586450
C 3.274197 4.771455 0.522639
C 2.504757 -5.217491 0.532949
C -5.584390 -0.773223 1.255131
C 2.113823 5.254286 1.174462
C 3.496417 -4.449821 1.189829
H -0.073313 1.403779 -2.906119
H -0.150105 2.445749 -1.444145
H -2.056037 -1.347502 -1.397630
H -1.222511 -0.771026 -2.881588
H 1.240844 -0.669994 -2.899190
H 2.181379 -1.101602 -1.428959
H -2.211131 -1.199275 0.790370
H 0.049005 2.548524 0.739153
H 2.165371 -1.315758 0.762482
H -4.768692 2.073625 -0.505732
H 4.174537 3.086343 -0.535626
H 0.596494 -5.163841 -0.527950
H -4.151984 -2.308487 1.848128
H 0.061441 4.799799 1.759496
H 4.114826 -2.443397 1.783755
H -6.749766 0.927908 0.541828
H 4.176094 5.391365 0.474889
H 2.598579 -6.307651 0.480718
H -6.440078 -1.269080 1.726819
H 2.113288 6.250939 1.629682
H 4.362310 -4.943650 1.644718


