%chk=000048436.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048436

0 1
 O  -0.2529000       1.941700       1.023300    
 O    1.905000      -1.903500     -0.8365000    
 O   -2.639600      -1.744300     -0.5176000    
 N   -1.472700      0.1160000      0.2727000    
 N  -0.3676000      -1.760500     -0.6426000    
 C    1.011300      7.5800002E-02  0.2071000    
 C    1.803100     -0.1045000       1.510100    
 C  -0.2806000      0.8054000      0.5382000    
 C    1.746300      0.9615000     -0.7598000    
 C   0.9118000      -1.272600     -0.4694000    
 C    1.130400      -1.107100       2.423000    
 C   -1.573500      -1.160600     -0.3035000    
 C   -2.709400      0.8076000      0.6249000    
 C    1.101900       1.155500      -2.100300    
 C    2.911300       1.545200     -0.4419000    
 C   -3.224800       1.644400     -0.5278000    
 H    1.899400      0.8388000       2.063800    
 H    2.815800     -0.4859000       1.322000    
 H    1.689500      -1.179700       3.362700    
 H   0.1087000     -0.8117000       2.680400    
 H    1.103100      -2.113300       1.994000    
 H  -0.4372000      -2.675800      -1.079000    
 H   -3.470700      7.0500001E-02  0.9045000    
 H   -2.547100       1.446300       1.500300    
 H    1.033700      0.2146000      -2.654600    
 H   9.6600004E-02   1.577200      -2.004200    
 H    1.676400       1.849300      -2.724800    
 H    3.413600       2.178100      -1.169000    
 H    3.422200       1.455100      0.5071000    
 H   -2.496600       2.408400     -0.8194000    
 H   -3.425700       1.024600      -1.407900    
 H   -4.154400       2.149200     -0.2472000    


%chk=000048436-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048436

0 1
O -0.328351 1.777988 1.264763
O 1.942328 -2.071572 -0.662617
O -2.664709 -1.683979 -0.820838
N -1.501072 0.067828 0.226290
N -0.346813 -1.794094 -0.728813
C 1.058565 0.038285 0.252368
C 1.878923 -0.128902 1.572713
C -0.294910 0.695005 0.624210
C 1.744387 0.975395 -0.787003
C 0.944854 -1.351410 -0.405759
C 1.208039 -1.053084 2.610902
C -1.576841 -1.160469 -0.466103
C -2.790939 0.753347 0.542801
C 0.986220 1.180584 -2.088623
C 2.939782 1.568762 -0.554326
C -3.198019 1.749820 -0.558029
H 2.017338 0.877642 2.004193
H 2.867228 -0.536496 1.296922
H 1.843789 -1.128790 3.510690
H 0.225474 -0.663268 2.934964
H 1.068331 -2.078149 2.220853
H -0.422838 -2.704424 -1.195778
H -3.553244 -0.033139 0.658312
H -2.644261 1.274059 1.502551
H 0.830739 0.225521 -2.627292
H -0.012939 1.626073 -1.915033
H 1.540533 1.855836 -2.760773
H 3.391754 2.220408 -1.310822
H 3.505612 1.436453 0.371441
H -2.436080 2.539502 -0.677609
H -3.344673 1.234704 -1.523139
H -4.150908 2.236265 -0.282813


