%chk=000122689.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122689

0 1
 O   -1.304700     -0.7366000     -0.7322000    
 O   -1.016600       2.683600      0.2086000    
 O   -3.270400       1.091700       1.637200    
 O   -3.417200      -2.608200     -0.7530000    
 O    1.873800       1.850900      -1.403400    
 O    4.637400      -1.057800      0.6951000    
 N   0.8401000      7.0600003E-02 -0.2702000    
 N    3.442100     -0.7186000      0.4021000    
 C   -1.142700       1.301000      0.4877000    
 C   -2.589700      0.8670000      0.4181000    
 C  -0.5048000      0.4495000     -0.5986000    
 C   -2.441600     -0.6176000      0.1376000    
 C   -3.661800      -1.229600     -0.5263000    
 C    1.914800      0.8355000     -0.7222000    
 C    1.078800      -1.057000      0.4974000    
 C    3.268200      0.3552000     -0.3259000    
 C    2.294400      -1.479800      0.8479000    
 H  -0.7207000       1.118400       1.482900    
 H   -3.127400       1.386000     -0.3846000    
 H  -0.5082000      0.9647000      -1.566800    
 H   -2.213600      -1.176400       1.054500    
 H   -3.853700     -0.7631000      -1.498100    
 H   -4.548600      -1.127400      0.1067000    
 H   -1.399400       2.856600     -0.6682000    
 H   -3.231500       2.045900       1.820500    
 H   0.2176000      -1.615100      0.8460000    
 H   -4.211700      -2.973800      -1.178000    
 H    4.138000      0.9368000     -0.6668000    
 H    2.457600      -2.361200       1.455700    


%chk=000122689-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122689

0 1
O -1.387065 -0.767917 -0.839668
O -1.168289 2.796156 -0.367140
O -3.376197 1.307508 1.420556
O -3.468549 -2.767618 -0.001406
O 1.508660 2.241639 -0.419314
O 4.633016 -1.115025 0.878860
N 0.838243 -0.013378 -0.287588
N 3.426719 -0.732024 0.499278
C -1.209691 1.448776 0.148227
C -2.666596 0.949413 0.201394
C -0.522565 0.399602 -0.782478
C -2.502844 -0.579788 0.152586
C -3.718398 -1.354483 -0.313563
C 1.825546 1.023541 -0.172867
C 1.144576 -1.330552 -0.025806
C 3.131945 0.583903 0.229283
C 2.407229 -1.709529 0.370645
H -0.772949 1.380618 1.168340
H -3.191588 1.324263 -0.703099
H -0.395785 0.813704 -1.800034
H -2.186669 -0.954700 1.146306
H -3.862927 -1.194106 -1.402213
H -4.600144 -0.968805 0.240493
H -0.191122 3.009590 -0.461501
H -3.449454 2.294491 1.462040
H 0.331792 -2.047243 -0.159881
H -4.230054 -3.316910 -0.313280
H 3.944083 1.300284 0.341194
H 2.707577 -2.730209 0.594338


