%chk=000045840.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045840

0 1
 O   -4.661300      0.1733000     -0.9926000    
 N   0.2829000      0.8653000      0.4218000    
 N    2.386200      -1.090400     -0.2847000    
 C    1.578300      0.8275000       1.108100    
 C   0.6424000      0.5713000     -0.9693000    
 C    2.363200       1.803200      0.2171000    
 C    1.735700       1.631600      -1.175400    
 C    2.209100     -0.5849000       1.084100    
 C    1.209700     -0.8583000      -1.134600    
 C  -0.7631000      3.9099999E-02  0.9949000    
 C   -2.064300      0.2136000      0.2092000    
 C    2.796500      -2.489400     -0.2970000    
 C   -3.206400     -0.6198000      0.7860000    
 C   -4.508900     -0.4821000      3.2499999E-02
 H    1.515400       1.202200       2.135400    
 H  -0.1673000      0.7481000      -1.683600    
 H    3.439500       1.602000      0.2085000    
 H    2.219200       2.836800      0.5555000    
 H    1.295900       2.584600      -1.495000    
 H    2.478500       1.338800      -1.924900    
 H    1.599600      -1.274000       1.681600    
 H    3.192200     -0.5340000       1.568900    
 H    1.502700     -0.9964000      -2.182900    
 H   0.4240000      -1.595500     -0.9278000    
 H  -0.5050000      -1.024200       1.032000    
 H  -0.9384000      0.3552000       2.030700    
 H   -2.356300       1.271700      0.1958000    
 H   -1.935800     -9.1300003E-02 -0.8355000    
 H    3.722200      -2.624500      0.2730000    
 H    3.004700      -2.821000      -1.320200    
 H    2.030300      -3.146900      0.1291000    
 H   -2.940100      -1.682500      0.7836000    
 H   -3.399200     -0.3227000       1.822800    
 H   -5.356100      -1.040400      0.4670000    


%chk=000045840-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000045840

0 1
O -4.867789 0.171677 -0.971541
N 0.239919 0.765157 0.355560
N 2.479963 -1.067396 -0.280645
C 1.536458 0.780237 1.102707
C 0.706986 0.512551 -1.045265
C 2.362850 1.788566 0.255622
C 1.803869 1.605573 -1.196373
C 2.205438 -0.624273 1.109101
C 1.314833 -0.911583 -1.187627
C -0.859913 -0.049129 0.905277
C -2.197645 0.241431 0.192696
C 3.085597 -2.405629 -0.348132
C -3.374981 -0.472541 0.879398
C -4.699850 -0.376293 0.144016
H 1.375571 1.117477 2.143383
H -0.119149 0.637673 -1.766305
H 3.442473 1.569526 0.309543
H 2.190066 2.815551 0.620662
H 1.352008 2.540914 -1.568689
H 2.590392 1.287054 -1.900767
H 1.547986 -1.348452 1.659350
H 3.166023 -0.579019 1.658635
H 1.657910 -1.067944 -2.228916
H 0.521596 -1.679866 -0.987289
H -0.672158 -1.152696 0.873782
H -0.953695 0.219505 1.977669
H -2.368342 1.333186 0.180264
H -2.152807 -0.078035 -0.865178
H 4.005126 -2.431602 0.265079
H 3.363603 -2.638598 -1.392402
H 2.406864 -3.220254 0.016150
H -3.160912 -1.557190 1.015541
H -3.537811 -0.087232 1.909790
H -5.564481 -0.852346 0.679006


