%chk=000014931.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014931

1 1
 O   -3.195500     -0.5176000      0.2403000    
 O    1.047300      -1.184700      -1.043500    
 O   -4.413600      0.5385000      -1.410200    
 N    2.782400      0.2143000      0.5328000    
 N  -0.5096000      -1.442400      0.6631000    
 C    1.519900     -0.2519000       1.127500    
 C   -1.490000      -2.185900     -8.1400000E-02
 C   -2.492500      -1.267400     -0.7558000    
 C   0.6893000     -0.9988000      0.1164000    
 C    2.807800       1.419900     -3.9000001E-02
 C    3.846600     -0.5891000      0.5919000    
 C    3.984700       1.885800     -0.6074000    
 C    5.050300     -0.1757000      3.9200000E-02
 C   -4.780300       1.060000      0.9357000    
 C   -4.134600      0.3542000     -0.2335000    
 C    5.115600       1.076000     -0.5655000    
 C   -5.827800       2.064800      0.4892000    
 H    1.751900     -0.9005000       1.979700    
 H   0.9675000      0.6168000       1.503200    
 H   -1.996900      -2.839300      0.6362000    
 H  -0.9848000      -2.807700     -0.8275000    
 H   -3.209700      -1.867000      -1.327900    
 H   -1.979900     -0.5744000      -1.433500    
 H  -0.7174000      -1.227100       1.634100    
 H    1.892400       1.999100     -4.3299999E-02
 H    3.729200      -1.552900       1.072200    
 H   -3.999300       1.578800       1.501700    
 H   -5.249600      0.3077000       1.578400    
 H    4.022100       2.862700      -1.077300    
 H    5.924400     -0.8169000      7.7000000E-02
 H    6.047300       1.419800      -1.004900    
 H   -6.627500       1.574400     -7.5800002E-02
 H   -6.275500       2.559700       1.356500    
 H   -5.386500       2.833400     -0.1539000    


%chk=000014931-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014931

1 1
O -3.142274 -0.190200 0.004201
O 1.511257 -1.840311 -0.346873
O -5.050539 0.063168 -1.308633
N 2.957542 0.304748 0.682614
N -0.506123 -0.843415 0.282641
C 1.593276 0.054185 1.217155
C -1.395271 -1.776933 -0.445487
C -2.540698 -1.001366 -1.094301
C 0.849472 -0.965217 0.289263
C 3.279318 1.525571 0.127715
C 3.849439 -0.746066 0.654289
C 4.533670 1.730692 -0.456038
C 5.118476 -0.577387 0.077426
C -4.958817 1.098662 0.948345
C -4.458800 0.300599 -0.240575
C 5.470913 0.667884 -0.485191
C -6.425396 1.539973 0.790032
H 1.681336 -0.389655 2.224516
H 1.057792 1.012650 1.305186
H -1.799007 -2.524464 0.262221
H -0.796977 -2.307021 -1.205151
H -3.300395 -1.679798 -1.517975
H -2.191210 -0.316735 -1.887294
H -0.991057 -0.109924 0.810742
H 2.516302 2.305309 0.173195
H 3.520381 -1.685092 1.097851
H -4.294110 1.976705 1.071470
H -4.818921 0.484044 1.857974
H 4.767702 2.708857 -0.881835
H 5.810856 -1.421924 0.072715
H 6.455903 0.813277 -0.937561
H -7.095027 0.668275 0.700029
H -6.740992 2.131227 1.666459
H -6.560323 2.156280 -0.114425


