%chk=000005311.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005311

0 1
 O   -2.252400       1.436400      0.2228000    
 O    7.326600     -1.6700000E-02  -1.248000    
 O    8.399800      -1.058800       1.009900    
 N   -3.216900     -0.6674000     -0.1723000    
 N    7.186600     -0.3582000       1.034300    
 C    1.704400     -0.2605000     -0.2960000    
 C    2.892700      0.6907000     -0.1359000    
 C   0.3741000      0.4835000     -0.1447000    
 C    4.223200     -5.7999998E-02 -0.2561000    
 C  -0.8308000     -0.4488000     -0.2654000    
 C    5.428900      0.8618000     -7.0400000E-02
 C   -2.170900      0.2427000     -4.6999998E-02
 C    6.746400      0.1213000     -0.1731000    
 C   -4.602700     -0.4123000     -4.0300000E-02
 C   -5.520600      -1.451400     -0.1936000    
 C   -5.050800      0.8778000      0.2438000    
 C   -6.886500      -1.200500     -6.3199997E-02
 C   -6.416600       1.128700      0.3743000    
 C   -7.334500      8.9500003E-02  0.2209000    
 H    1.745900     -0.7424000      -1.280200    
 H    1.766000      -1.055400      0.4573000    
 H    2.843000       1.476400     -0.8994000    
 H    2.839300       1.184600      0.8419000    
 H   0.3030000       1.271800     -0.9046000    
 H   0.3477000      0.9864000      0.8302000    
 H    4.286000     -0.5453000      -1.237200    
 H    4.261400     -0.8611000      0.4907000    
 H  -0.8414000     -0.9078000      -1.261500    
 H  -0.7458000      -1.255700      0.4730000    
 H    5.426700       1.649200     -0.8335000    
 H    5.371900       1.366300      0.9019000    
 H   -2.975100      -1.632900     -0.3853000    
 H    6.786700     -0.1600000       1.944300    
 H   -5.184900      -2.461300     -0.4149000    
 H   -4.403100       1.733200      0.3739000    
 H   -7.601300      -2.009500     -0.1826000    
 H   -6.767000       2.132900      0.5950000    
 H   -8.398000      0.2850000      0.3224000    
 H    8.070000      -1.971500      0.9521000    


%chk=000005311-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005311

0 1
O -2.341539 0.975449 1.256511
O 6.928801 -1.056340 -1.017886
O 9.014083 -0.233242 0.389410
N -3.314123 -0.653918 -0.128391
N 7.746877 0.442567 0.485730
C 1.645590 -0.546731 0.218662
C 2.828561 0.422383 -0.005297
C 0.274942 0.161693 0.164709
C 4.199314 -0.285045 0.057532
C -0.906654 -0.812268 0.382097
C 5.379533 0.693811 -0.161622
C -2.240140 -0.069642 0.546993
C 6.707253 -0.037017 -0.271156
C -4.683297 -0.255535 -0.153677
C -5.578781 -1.050126 -0.920661
C -5.172722 0.881056 0.544698
C -6.946035 -0.716274 -0.990174
C -6.545654 1.200809 0.464362
C -7.439860 0.413530 -0.296547
H 1.685534 -1.352044 -0.544357
H 1.761597 -1.044405 1.204307
H 2.715099 0.917001 -0.992648
H 2.785788 1.229517 0.755514
H 0.155919 0.674104 -0.811043
H 0.218298 0.946770 0.941834
H 4.257885 -1.076220 -0.713465
H 4.315628 -0.788600 1.038034
H -0.952798 -1.553150 -0.441012
H -0.729484 -1.382446 1.317131
H 5.219671 1.243889 -1.110290
H 5.413107 1.448578 0.649071
H -3.093467 -1.488795 -0.676455
H 7.769895 1.217894 1.144656
H -5.204174 -1.929406 -1.461705
H -4.479607 1.487018 1.130479
H -7.624111 -1.338091 -1.585112
H -6.916834 2.078542 1.005440
H -8.502225 0.674022 -0.349560
H 8.779135 -0.956636 -0.282611


