%chk=000125689.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125689

0 1
 O    1.270000       2.358000     -0.6667000    
 O   -1.245200      -1.237700      -1.427900    
 O    3.026300      -1.802300      0.2308000    
 O   -2.744000      -1.624300      0.2309000    
 N   0.4795000      0.4814000      0.5022000    
 N   0.9928000     -0.7609000      0.7754000    
 N    2.494600      0.3810000     -0.4273000    
 N   -3.199800       1.085200      0.3934000    
 C  -0.8120000      0.9548000      0.9269000    
 C   -1.899000      0.6400000     -0.1019000    
 C    1.394300       1.216000     -0.2471000    
 C    2.267900     -0.8437000      0.1955000    
 C   -2.025400     -0.8475000     -0.3843000    
 H   -1.035100      0.4895000       1.894900    
 H  -0.7486000       2.038700       1.080900    
 H   -1.694000       1.155800      -1.047800    
 H   0.4858000      -1.454400       1.309800    
 H    3.335100      0.6280000     -0.9366000    
 H   -3.903500      0.9662000     -0.3347000    
 H   -3.166400       2.084200      0.5937000    
 H   -1.332100      -2.197700      -1.609600    


%chk=000125689-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125689

0 1
O 1.580320 2.531465 -0.449792
O -2.846270 -1.079893 -1.647203
O 3.250709 -1.772334 0.682486
O -1.428485 -1.774902 0.046155
N 0.566861 0.485060 0.241058
N 1.089784 -0.750493 0.745816
N 2.783959 0.497402 0.027119
N -3.149684 1.168483 0.301738
C -0.731697 0.987483 0.698151
C -1.893479 0.670895 -0.274157
C 1.646084 1.322474 -0.112830
C 2.473333 -0.803684 0.510527
C -1.978679 -0.837021 -0.585708
H -0.942700 0.569100 1.700675
H -0.659806 2.085276 0.778925
H -1.713580 1.197664 -1.226857
H 0.453834 -1.557014 0.688889
H 3.729163 0.802528 -0.194447
H -3.434532 0.731128 1.182405
H -3.917406 1.296370 -0.360711
H -2.936527 -2.059688 -1.801739


