%chk=000038781.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000038781

0 1
 O   -4.552800       1.925200     -0.4688000    
 O   -2.943400       1.397900      -2.010200    
 O   -2.450000     -0.3505000       1.874700    
 O   0.3472000     -0.2129000       1.736000    
 O    7.369600      0.3716000      -1.032800    
 O    7.323400      0.1454000       1.228500    
 N   -1.139500     -0.1022000     -4.4900000E-02
 N    1.117300      3.9900001E-02 -0.4689000    
 C   -3.529600     -0.1905000     -0.2540000    
 C   -4.827900     -0.1594000      0.5401000    
 C   -5.060500       1.325600      0.7299000    
 C   -3.464100      -1.397900      -1.182700    
 C   -3.616500       1.102000      -1.034300    
 C   -2.336700     -0.2249000      0.6586000    
 C   -6.524400       1.684700      0.9038000    
 C   -3.451900      -2.679700     -0.4083000    
 C   0.1476000     -0.1020000      0.5290000    
 C   -2.478000      -3.593000     -0.4914000    
 C    2.522300      8.6700000E-02 -0.3120000    
 C    3.067300     -1.5100000E-02  0.9575000    
 C    3.324600      0.2335000      -1.431700    
 C    4.452900      3.1199999E-02   1.111600    
 C    4.710200      0.2798000      -1.277700    
 C    5.274300      0.1787000     -6.0000001E-03
 C    6.718800      0.2261000      0.1540000    
 H   -4.817500     -0.6942000       1.495300    
 H   -5.647400     -0.5839000     -5.5900000E-02
 H   -4.481500       1.717800       1.574400    
 H   -2.601900      -1.347700      -1.859500    
 H   -4.339700      -1.407900      -1.846100    
 H   -6.640200       2.770000      0.9959000    
 H   -6.945500       1.210300       1.795100    
 H   -7.112700       1.382200      3.0500000E-02
 H   -4.301700      -2.896400      0.2338000    
 H   -1.180000      2.1400001E-02  -1.052300    
 H   -2.535100      -4.510900      8.3400004E-02
 H   -1.611800      -3.442800      -1.126300    
 H   0.7811000      0.1191000      -1.425300    
 H    2.500100     -0.1310000       1.869100    
 H    2.894900      0.3131000      -2.426400    
 H    4.874100     -4.9400002E-02   2.110500    
 H    5.312200      0.3955000      -2.174600    
 H    8.342900      0.4018000     -0.9139000    


%chk=000038781-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000038781

0 1
O -4.401295 1.884758 -0.745865
O -2.621933 1.084382 -1.998468
O -2.427057 -0.540753 2.028975
O 0.477500 -0.931849 1.680595
O 7.468651 0.880500 -1.122675
O 7.560898 -0.361878 0.838023
N -1.121349 -0.190506 0.090119
N 1.137663 0.246651 -0.258658
C -3.574005 -0.305982 -0.155443
C -4.874049 -0.054005 0.640039
C -5.125052 1.468751 0.531120
C -3.605106 -1.616663 -1.019778
C -3.461678 0.925670 -1.079583
C -2.320167 -0.356681 0.795813
C -6.579425 1.905141 0.414712
C -3.644538 -2.875704 -0.178984
C 0.202322 -0.340857 0.611942
C -2.763091 -3.898544 -0.292015
C 2.552112 0.209593 -0.160284
C 3.244920 -0.445730 0.896190
C 3.288187 0.868463 -1.186342
C 4.650092 -0.436349 0.904380
C 4.690796 0.873187 -1.164934
C 5.387920 0.216901 -0.116623
C 6.867193 0.192072 -0.050460
H -4.762331 -0.370681 1.689650
H -5.713738 -0.606537 0.181853
H -4.604809 2.017335 1.337686
H -2.733010 -1.636445 -1.698234
H -4.509110 -1.559971 -1.660588
H -6.655586 2.996325 0.274625
H -7.120959 1.636578 1.340012
H -7.073030 1.405467 -0.436905
H -4.455901 -2.944181 0.560683
H -1.238308 0.089906 -0.897187
H -2.838777 -4.792264 0.336286
H -1.933283 -3.868136 -1.009152
H 0.771116 0.796289 -1.040692
H 2.679233 -0.939509 1.687290
H 2.755371 1.374536 -2.001528
H 5.200370 -0.935284 1.708811
H 5.258051 1.377795 -1.951282
H 8.455694 0.825408 -1.015422


