%chk=000050703.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050703

0 1
 O   0.4023000       1.271000     -0.1691000    
 O    1.277100       1.220600      -2.297800    
 N   -2.160000       1.173100       1.077800    
 N    5.411900      -2.256200       1.146500    
 C   -1.653000       2.421400      0.5259000    
 C   -2.859900      0.4000000      5.8600001E-02
 C  -0.6830000       2.074000     -0.6179000    
 C   -3.395500     -0.9010000      0.6542000    
 C   -2.832200       3.257500      7.3000002E-03
 C  -0.9388000       3.185300       1.649400    
 C   -4.115900      -1.738600     -0.4045000    
 C   -4.684100      -3.024500      0.1955000    
 C   -5.371800      -3.875300     -0.8604000    
 C    1.312800      0.9145000      -1.116100    
 C    2.388900      8.1000000E-02 -0.5229000    
 C    3.653000      0.1330000      -1.073500    
 C    2.091700     -0.7191000      0.5616000    
 C    4.664300     -0.6492000     -0.5154000    
 C    3.103000      -1.501200       1.119600    
 C    4.389200      -1.466300      0.5811000    
 H   -1.391600      0.6192000       1.456700    
 H   -3.722000      0.9361000     -0.3487000    
 H   -2.210100      0.1034000     -0.7686000    
 H   -1.168800       1.621800      -1.489700    
 H  -0.2562000       3.018400     -0.9859000    
 H   -2.569600      -1.485800       1.079200    
 H   -4.087200     -0.6749000       1.475800    
 H   -3.638700       3.325600      0.7471000    
 H   -2.503900       4.283500     -0.2014000    
 H   -3.250800       2.881700     -0.9321000    
 H  -0.5132000       4.123800       1.276300    
 H  -0.1180000       2.601900       2.082400    
 H   -1.630300       3.435600       2.462700    
 H   -3.417900      -1.987400      -1.213300    
 H   -4.929700      -1.152500     -0.8490000    
 H   -5.402700      -2.780700      0.9866000    
 H   -3.878700      -3.607800      0.6569000    
 H   -5.771400      -4.789100     -0.4095000    
 H   -6.203000      -3.332300      -1.321300    
 H   -4.670300      -4.164600      -1.649400    
 H    3.880200      0.7679000      -1.924700    
 H    1.095800     -0.7743000      0.9909000    
 H    5.662800     -0.6124000     -0.9433000    
 H    2.875600      -2.135900       1.972400    
 H    5.212300      -2.850600       1.940100    
 H    6.344100      -2.233200      0.7551000    


%chk=000050703-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050703

0 1
O 0.466168 1.491583 -0.078699
O 1.388764 1.450415 -2.222557
N -2.238714 1.165245 0.920670
N 5.461878 -2.359723 1.138607
C -1.680849 2.495312 0.532837
C -2.948811 0.365800 -0.105184
C -0.605719 2.389034 -0.584441
C -3.417746 -0.973958 0.498145
C -2.811704 3.416229 0.012989
C -1.057983 3.108798 1.810338
C -4.203317 -1.847712 -0.505201
C -4.668502 -3.192770 0.098031
C -5.473009 -4.054095 -0.899527
C 1.428890 1.082829 -1.018509
C 2.452361 0.196234 -0.421917
C 3.477098 -0.317273 -1.263513
C 2.456223 -0.161841 0.954071
C 4.473035 -1.162050 -0.755262
C 3.448687 -1.005818 1.474486
C 4.476420 -1.522614 0.627335
H -1.492348 0.600437 1.354088
H -3.835127 0.933293 -0.447082
H -2.330186 0.150845 -1.012668
H -1.017582 1.959121 -1.515574
H -0.160436 3.372526 -0.824839
H -2.533836 -1.541076 0.861739
H -4.043050 -0.759279 1.386957
H -3.633725 3.434101 0.749500
H -2.439302 4.447431 -0.124975
H -3.220927 3.072485 -0.954606
H -0.632833 4.108128 1.604350
H -0.244910 2.468337 2.197135
H -1.833278 3.203125 2.589737
H -3.574657 -2.046179 -1.398489
H -5.089513 -1.285096 -0.866959
H -5.285165 -2.993132 0.998147
H -3.782102 -3.760260 0.448211
H -5.793634 -5.009477 -0.444560
H -6.380406 -3.520536 -1.240549
H -4.868613 -4.292061 -1.795345
H 3.469057 -0.035315 -2.321815
H 1.674354 0.233872 1.608474
H 5.255879 -1.550019 -1.418122
H 3.440112 -1.272387 2.538389
H 5.469604 -2.617910 2.121317
H 6.196153 -2.727196 0.540041


