%chk=000083875.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083875

0 1
 O  -0.3583000      0.4153000      0.5386000    
 O   0.9237000      -2.494000     -0.6516000    
 O    4.740600      -1.544100       1.203200    
 O  -0.7415000      6.5800004E-02  -1.734500    
 N    2.759800       2.087200     -0.3491000    
 C    1.837700     -0.4859000      0.2364000    
 C    3.178700     -0.2770000     -6.6100001E-02
 C   0.9945000      0.5952000      0.2381000    
 C    1.463600       1.845300     -5.0700001E-02
 C    1.341300      -1.860500      0.5501000    
 C    4.166200      -1.391900     -8.9800000E-02
 C    3.585700       1.016900     -0.3492000    
 C   0.5607000       3.035400     -5.4699998E-02
 C   -1.158700      0.1502000     -0.5706000    
 C   -2.548900     -2.4900001E-02 -0.1818000    
 C   -3.377500     -0.8726000     -0.9170000    
 C   -3.053800      0.6548000      0.9267000    
 C   -4.710900      -1.040600     -0.5435000    
 C   -4.387100      0.4866000       1.300200    
 C   -5.215700     -0.3611000      0.5652000    
 H    2.084500      -2.487500       1.050800    
 H   0.4845000      -1.827600       1.232100    
 H    3.740700      -2.345600     -0.4143000    
 H    4.977500      -1.171500     -0.7934000    
 H    4.619300       1.245500     -0.5905000    
 H    1.130300       3.958000     -0.2094000    
 H  -0.1740000       2.957100     -0.8618000    
 H   3.7500001E-02   3.126000      0.9027000    
 H   0.6578000      -1.820800      -1.299700    
 H   -2.999100      -1.412100      -1.781400    
 H   -2.436100       1.332100       1.510600    
 H    4.954600     -0.6623000       1.552600    
 H   -5.356100      -1.701100      -1.115400    
 H   -4.781300       1.018000       2.161600    
 H   -6.254100     -0.4916000      0.8556000    


%chk=000083875-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000083875

0 1
O -0.378785 0.494220 0.402676
O 1.384027 -2.615264 -0.877397
O 4.567154 -1.812320 1.291637
O -0.744239 -0.858488 -1.476320
N 2.788915 2.232510 -0.339412
C 1.912369 -0.448303 0.166199
C 3.290343 -0.159345 -0.072396
C 1.022078 0.646322 0.125220
C 1.465397 1.975937 -0.122219
C 1.453888 -1.882248 0.397657
C 4.338141 -1.256474 -0.063934
C 3.660249 1.180547 -0.320546
C 0.504470 3.141315 -0.159182
C -1.199201 -0.243402 -0.480281
C -2.626961 -0.190981 -0.076519
C -3.567208 -0.899911 -0.871315
C -3.063364 0.536986 1.062480
C -4.933640 -0.879605 -0.529368
C -4.432363 0.552388 1.399316
C -5.368316 -0.153774 0.605928
H 2.199388 -2.421604 1.001050
H 0.483422 -1.908051 0.931540
H 4.001770 -2.123942 -0.653315
H 5.286701 -0.876153 -0.494373
H 4.710323 1.434451 -0.513506
H 1.078882 4.070936 -0.288654
H -0.211377 3.045208 -0.997084
H -0.093428 3.202222 0.767931
H 0.694496 -2.157111 -1.434987
H -3.208057 -1.454571 -1.744309
H -2.330155 1.076577 1.667698
H 4.861974 -1.078167 1.888807
H -5.658220 -1.426009 -1.141970
H -4.771379 1.111876 2.277503
H -6.431192 -0.139072 0.871444


