%chk=000157873.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000157873

0 1
 O    2.702900      -2.402000     -0.2970000    
 O    2.757700       2.398000     -0.3152000    
 O    1.052200     -1.0900000E-02  -1.928000    
 N   -3.115300      2.9999999E-02   1.282200    
 N   -1.758000      3.8300000E-02   1.365900    
 N   0.3672000      2.8300000E-02  0.3200000    
 C   -5.189300     -3.5999999E-03  2.8600000E-02
 C   -3.652100      3.8999999E-03  6.6699997E-02
 C   -5.696200       1.237900     -0.7368000    
 C   -5.849400      2.1000000E-02   1.425900    
 C   -5.684900      -1.278800     -0.6873000    
 C   -2.979400     -1.5300000E-02  -1.112200    
 C   -1.598300     -6.6999998E-03  -1.027100    
 C   -1.028600      2.0300001E-02  0.2301000    
 C    2.722200     -2.0000001E-03 -0.3087000    
 C    1.295800      1.2800000E-02 -0.7264000    
 C    3.350800      -1.216400     -0.1151000    
 C    3.378600       1.199400     -0.1259000    
 C    4.689400      -1.230200      0.2767000    
 C    4.717300       1.185600      0.2660000    
 C    5.372800     -2.9200001E-02  0.4673000    
 C    2.036900      -2.956000      0.8355000    
 C    2.107700       2.975700      0.8147000    
 H   -5.329300       2.162500     -0.2754000    
 H   -6.791900       1.279300     -0.7392000    
 H   -5.375900       1.243100      -1.784400    
 H   -5.554800     -0.8511000       2.021600    
 H   -6.943200      1.4700000E-02   1.352200    
 H   -5.562500      0.9184000       1.986800    
 H   -6.780100      -1.330000     -0.6881000    
 H   -5.364000      -1.322500      -1.733800    
 H   -5.310000      -2.181200     -0.1897000    
 H   -3.459200     -3.6300000E-02  -2.082500    
 H   -1.072300     -2.2200000E-02  -1.967800    
 H   0.7273000      4.2900000E-02   1.271200    
 H    5.206900      -2.172600      0.4346000    
 H    5.256200       2.117200      0.4161000    
 H    6.415000     -3.9900001E-02  0.7722000    
 H    2.740800      -3.574900       1.400200    
 H    1.220900      -3.590200      0.4785000    
 H    1.622800      -2.186000       1.493300    
 H    2.825200       3.589100       1.368200    
 H    1.684900       2.220400       1.483900    
 H    1.300200       3.619400      0.4553000    


%chk=000157873-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000157873

0 1
O 2.411814 -2.367814 0.127750
O 2.467236 2.375570 0.056584
O 0.973283 0.021651 -1.787676
N -3.394353 -0.013754 1.232185
N -2.027105 -0.011966 1.295761
N 0.096073 0.001635 0.385838
C -5.566506 -0.005625 0.014769
C -4.027782 -0.002602 0.011828
C -6.077726 1.272743 -0.715907
C -6.127340 -0.020809 1.458408
C -6.072583 -1.271571 -0.740608
C -3.278961 0.010966 -1.201041
C -1.880522 0.013354 -1.158172
C -1.287358 0.001320 0.135310
C 2.517243 0.003227 0.105642
C 1.143154 0.009901 -0.535770
C 3.176735 -1.221855 0.380863
C 3.205568 1.220489 0.342681
C 4.504147 -1.239772 0.879733
C 4.533149 1.222080 0.841547
C 5.163812 -0.012764 1.099271
C 3.042650 -3.673703 0.338068
C 3.129325 3.672003 0.224810
H -5.735465 2.185358 -0.195182
H -7.183339 1.278735 -0.731423
H -5.725389 1.322083 -1.762656
H -5.786068 -0.911661 2.011974
H -7.233098 -0.023325 1.420877
H -5.790673 0.861198 2.028718
H -7.178176 -1.281667 -0.756486
H -5.719847 -1.299148 -1.788014
H -5.726768 -2.192764 -0.237641
H -3.792667 0.019612 -2.167327
H -1.249721 0.023547 -2.048379
H 0.329315 -0.010325 1.384729
H 5.016055 -2.181514 1.092168
H 5.066943 2.157535 1.025951
H 6.190289 -0.018934 1.482105
H 3.933241 -3.795435 -0.307621
H 2.275047 -4.408469 0.055735
H 3.325610 -3.817378 1.398765
H 4.022425 3.751639 -0.424007
H 3.415859 3.843001 1.280514
H 2.379474 4.415410 -0.081572


