%chk=000033485.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000033485

0 1
 O   -2.346600      -1.390200     -0.8084000    
 O   -1.770700       1.332500     -0.8440000    
 O    5.613700       1.375100     -7.3600002E-02
 O    7.551200     -0.1954000      0.9812000    
 N    6.230500     -0.6485000      0.8578000    
 C   -4.685800     -0.4469000      0.6295000    
 C   -4.366800      -1.916500      0.3645000    
 C   -6.191000     -0.2206000      0.7669000    
 C   -2.867000      -2.157800      0.2682000    
 C   -6.510600       1.235700       1.064500    
 C   -1.055600     -0.9464000     -0.6842000    
 C  -0.7703000      0.4188000     -0.7041000    
 C  -2.2900000E-02  -1.872600     -0.5386000    
 C   0.5479000      0.8578000     -0.5782000    
 C    1.580600     -6.8499997E-02 -0.4328000    
 C    1.295300      -1.433800     -0.4131000    
 C   -1.577400       2.604900     -0.2293000    
 C    2.954900      0.3891000     -0.3021000    
 C   -2.925400       3.177600      0.1536000    
 C    3.973100     -0.3355000      0.2141000    
 C    5.342900      0.2412000      0.3080000    
 H   -4.306900      0.1749000     -0.1895000    
 H   -4.179500     -0.1199000       1.545900    
 H   -4.843300      -2.218000     -0.5763000    
 H   -4.782900      -2.542300       1.162400    
 H   -6.589800     -0.8463000       1.573900    
 H   -6.698800     -0.5200000     -0.1573000    
 H   -2.676600      -3.218700      7.1500003E-02
 H   -2.388500      -1.888300       1.218800    
 H   -6.155900       1.887200      0.2594000    
 H   -7.591800       1.374400       1.162100    
 H   -6.040800       1.557700       1.999300    
 H  -0.2295000      -2.939400     -0.5342000    
 H   0.7990000       1.914500     -0.6195000    
 H    2.067900      -2.192000     -0.3245000    
 H   -1.080400       3.275500     -0.9391000    
 H  -0.9807000       2.530700      0.6885000    
 H    3.144500       1.403400     -0.6466000    
 H   -2.816900       4.170400      0.5994000    
 H   -3.431300       2.523800      0.8714000    
 H   -3.577200       3.252600     -0.7231000    
 H    3.837000      -1.341300      0.5960000    
 H    6.018900      -1.557400       1.253900    
 H    7.940600     -0.5804000      0.1778000    


%chk=000033485-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000033485

0 1
O -2.472839 -0.638607 -0.130545
O -1.529296 1.784034 -0.627485
O 5.975125 1.103882 -0.087686
O 7.938757 -0.549880 0.411367
N 6.585030 -1.021602 0.452908
C -5.183050 -0.886678 1.090426
C -4.573834 -1.823049 0.023803
C -6.711773 -0.722010 0.937514
C -3.055423 -1.972257 0.137660
C -7.322956 0.206160 2.009214
C -1.088468 -0.507666 -0.081495
C -0.572324 0.803523 -0.352962
C -0.185045 -1.558697 0.208737
C 0.818654 1.016400 -0.327955
C 1.733439 -0.041698 -0.037085
C 1.204481 -1.331032 0.230962
C -1.043523 3.148606 -0.920855
C 3.165039 0.264742 -0.032982
C -2.278405 4.004031 -1.188257
C 4.206992 -0.587787 0.224497
C 5.592159 -0.098800 0.180438
H -4.691784 0.102534 1.020193
H -4.956579 -1.283660 2.102713
H -4.816809 -1.445944 -0.988603
H -5.022757 -2.834336 0.108143
H -7.198104 -1.718265 0.989307
H -6.933745 -0.319098 -0.071793
H -2.663713 -2.696712 -0.605851
H -2.760337 -2.302866 1.155844
H -6.874060 1.216023 1.959657
H -8.415279 0.314159 1.877053
H -7.142966 -0.190233 3.026483
H -0.565787 -2.562202 0.418045
H 1.224877 2.011852 -0.533839
H 1.874544 -2.166725 0.457392
H -0.373112 3.118456 -1.804625
H -0.467849 3.529703 -0.052105
H 3.449337 1.302092 -0.263685
H -1.977413 5.042403 -1.417812
H -2.940925 4.017047 -0.306247
H -2.848596 3.605629 -2.044419
H 4.045214 -1.645938 0.467931
H 6.519955 -2.009355 0.688023
H 7.770247 0.424921 0.168078


