%chk=000002687.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002687

0 1
 O  -1.2200000E-02   1.552700      0.7776000    
 O    2.317000       2.292100       2.171800    
 O   -2.837800      -2.900700       1.672600    
 N    2.823700      1.0400000E-02 -0.6994000    
 N   -1.656400     -0.9023000       1.193300    
 N   -3.483900      -1.414100     -5.7000000E-02
 C    3.150000      -1.407400     -0.7680000    
 C    2.694900      0.4489000      0.6837000    
 C    2.362300       1.939200      0.7863000    
 C    3.282900      -1.807400      -2.241300    
 C    4.477700      -1.638600     -3.8600001E-02
 C    2.033600      -2.219300     -0.1005000    
 C    1.025800       2.305300      0.1444000    
 C   -1.102000       1.248900      3.3500001E-02
 C   -1.840800      0.1076000      0.2487000    
 C   -2.960100     -0.2058000     -0.5168000    
 C   -1.529500       2.089700     -0.9992000    
 C   -3.399600      0.6056000      -1.538200    
 C   -2.680400      -1.876700       1.023500    
 C   -2.665300       1.771800      -1.776300    
 H    1.925000     -9.6400000E-02   1.238900    
 H    3.627700      0.3213000       1.243100    
 H    1.953200      0.1831000      -1.200500    
 H    3.163600       2.529700      0.3261000    
 H    4.067400      -1.228400      -2.742800    
 H    3.540500      -2.867900      -2.342100    
 H    2.346100      -1.642900      -2.786800    
 H    4.393000      -1.597000       1.052400    
 H    5.247200     -0.9250000     -0.3572000    
 H    4.863300      -2.640200     -0.2674000    
 H    1.042900      -1.928300     -0.4696000    
 H    2.154900      -3.285600     -0.3292000    
 H    2.031200      -2.148600      0.9921000    
 H    1.076700       2.121000     -0.9350000    
 H   0.8164000       3.368400      0.3125000    
 H    2.142500       3.247300       2.225100    
 H   -1.022100       3.024900      -1.222000    
 H  -0.9119000     -0.9259000       1.879100    
 H   -4.301400      -1.874500     -0.4376000    
 H   -4.271600      0.3617000      -2.132900    
 H   -2.975400       2.449000      -2.568100    


%chk=000002687-Freq.chk
%nprocshared=4
%mem=4GB
#p freq=noraman PBEPBE/SDD

000002687

0 1
O -0.125731 0.955764 0.394598
O 1.945302 1.874111 2.366242
O -4.192725 -2.101762 1.990056
N 2.677836 -0.487808 -0.415868
N -2.473594 -0.646509 1.142427
N -4.473954 -0.576997 0.150239
C 3.710612 -1.536437 -0.705287
C 2.558780 0.031851 0.964110
C 2.182762 1.529581 0.956146
C 3.490389 -1.964977 -2.176807
C 5.123675 -0.918482 -0.561661
C 3.573216 -2.779053 0.225285
C 0.991652 1.847627 0.044346
C -1.327617 1.120091 -0.309906
C -2.394588 0.306007 0.115224
C -3.664751 0.357939 -0.522556
C -1.560253 2.005922 -1.392280
C -3.908599 1.231098 -1.601327
C -3.765045 -1.222667 1.199220
C -2.833714 2.050930 -2.018350
H 1.802793 -0.499239 1.578396
H 3.524585 -0.061440 1.487810
H 1.757769 -0.792121 -0.765039
H 3.038192 2.112469 0.546131
H 3.588375 -1.093782 -2.848568
H 4.230387 -2.728230 -2.476437
H 2.481350 -2.400042 -2.316979
H 5.336979 -0.611413 0.478756
H 5.214006 -0.029528 -1.210488
H 5.895706 -1.653105 -0.854853
H 2.581562 -3.253799 0.099008
H 4.346661 -3.536120 -0.003147
H 3.683815 -2.494199 1.287777
H 1.297010 1.671573 -1.006295
H 0.671881 2.904908 0.160605
H 1.727529 2.837260 2.442753
H -0.761667 2.656759 -1.758473
H -1.727871 -0.886423 1.791487
H -5.447197 -0.796602 -0.046985
H -4.882070 1.279288 -2.097719
H -2.984349 2.743158 -2.853392


