%chk=000085614.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085614

0 1
 O   -1.315200       1.811400     -0.5250000    
 O   -2.372800      -1.957600       1.093200    
 O    1.898000      -1.617900      -2.189600    
 O   -3.076800      0.3994000     -0.1644000    
 O  -0.2524000     -0.8835000      -2.133700    
 N  -0.9106000     -0.2265000      0.4889000    
 C   0.4713000      0.2064000      0.5402000    
 C    1.310200     -0.1153000     -0.4929000    
 C   0.8607000      0.9250000       1.640700    
 C    2.636100      0.3121000     -0.4220000    
 C    2.186500       1.352500       1.711600    
 C   -1.235500      -1.482800       1.046200    
 C    3.074200       1.046100      0.6804000    
 C   -1.872900      0.6377000     -8.5900001E-02
 C   0.8857000     -0.8816000      -1.658000    
 C  -6.6799998E-02  -2.291800       1.561500    
 C   -2.219800       2.766400      -1.091100    
 H   0.1725000       1.165700       2.444900    
 H    3.349700      0.1020000      -1.214400    
 H    2.527400       1.924700       2.569600    
 H    4.105700       1.381800      0.7346000    
 H  -0.4493000      -3.227000       1.985000    
 H   0.6178000      -2.557300      0.7533000    
 H   0.4578000      -1.768200       2.363800    
 H   -2.708500       2.346200      -1.975200    
 H   -1.641400       3.643400      -1.393400    
 H   -2.960400       3.073400     -0.3467000    
 H    1.604500      -2.130200      -2.973200    


%chk=000085614-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000085614

0 1
O -1.287158 1.708386 -0.543259
O -2.509413 -1.653956 1.672162
O 1.826053 -0.895377 -2.679959
O -3.093288 0.249057 -0.270210
O -0.398577 -0.914185 -2.038672
N -0.936543 -0.216292 0.652859
C 0.454258 0.197678 0.621654
C 1.303927 -0.017041 -0.506121
C 0.978891 0.803290 1.785004
C 2.664781 0.382869 -0.427897
C 2.332591 1.194554 1.849856
C -1.318592 -1.401476 1.387053
C 3.180149 0.981954 0.738013
C -1.902481 0.538830 -0.074334
C 0.791608 -0.633438 -1.761235
C -0.166922 -2.321996 1.778336
C -2.149578 2.541676 -1.410750
H 0.306020 0.976383 2.631372
H 3.305035 0.214750 -1.297351
H 2.719511 1.668510 2.758253
H 4.231367 1.284907 0.778469
H -0.606284 -3.253949 2.163005
H 0.487515 -2.546647 0.918730
H 0.462088 -1.874162 2.567691
H -2.432140 1.977483 -2.315295
H -1.529832 3.413724 -1.662788
H -3.061205 2.843245 -0.868478
H 1.423920 -1.294278 -3.497707


