%chk=000043879.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000043879

0 1
 O  -0.4811000      -1.097400     -0.2025000    
 O   -3.264000      -1.710600      0.1229000    
 N    3.124300     -0.2210000     -0.3875000    
 C   0.6828000     -0.3395000     -0.6265000    
 C   0.4858000       1.132400     -0.2318000    
 C  -0.9896000       1.150200     -0.1193000    
 C    1.924500     -0.9506000      1.8000000E-03
 C   -1.466500     -0.1512000     -8.3099999E-02
 C   -1.850500       2.225100      5.2000000E-03
 C   -2.808600     -0.4340000      8.0799997E-02
 C   -3.214600       1.963400      0.1586000    
 C   -3.690200      0.6420000      0.1979000    
 C    4.309800     -0.8041000      0.2255000    
 C    5.551700     -5.9200000E-02 -0.1571000    
 C   -4.670200      -1.898300      0.2960000    
 C    6.356400      0.5529000      0.7191000    
 H   0.7359000     -0.4295000      -1.721400    
 H   0.8686000       1.812000     -0.9984000    
 H   0.9335000       1.372600      0.7385000    
 H    1.994700      -2.003200     -0.3011000    
 H    1.811800     -0.9537000       1.093900    
 H   -1.482400       3.245100     -8.3999997E-03
 H    3.215400     -0.2453000      -1.403300    
 H   -3.913700       2.789600      0.2563000    
 H   -4.761800      0.5255000      0.3250000    
 H    4.428100      -1.846200     -9.6100003E-02
 H    4.199100     -0.8111000       1.317000    
 H    5.813300     -2.6600000E-02  -1.211900    
 H   -5.235600      -1.485500     -0.5462000    
 H   -5.011700      -1.500800       1.257700    
 H   -4.853700      -2.977500      0.3097000    
 H    7.245200       1.072500      0.3779000    
 H    6.146300      0.5486000       1.782800    


%chk=000043879-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000043879

0 1
O -0.607542 -0.964845 -1.149558
O -3.169621 -1.719649 -0.171605
N 3.052982 -0.322709 -0.490243
C 0.717512 -0.249783 -1.303640
C 0.438765 1.257693 -1.036431
C -0.919912 1.230638 -0.347135
C 1.697135 -0.878254 -0.293867
C -1.455994 -0.065917 -0.476693
C -1.653265 2.245877 0.297881
C -2.738958 -0.399196 0.019769
C -2.935662 1.929972 0.805485
C -3.475528 0.626543 0.667767
C 4.022950 -0.693772 0.573402
C 5.426238 -0.245251 0.226498
C -4.503267 -2.060844 0.326227
C 6.211893 0.533371 1.009225
H 1.045318 -0.453078 -2.338698
H 0.391975 1.837107 -1.977782
H 1.250834 1.683692 -0.422033
H 1.643466 -1.988749 -0.388664
H 1.361198 -0.623772 0.730284
H -1.243791 3.255980 0.402392
H 3.423163 -0.549633 -1.425296
H -3.527089 2.699192 1.313716
H -4.470415 0.415047 1.071567
H 4.035499 -1.801032 0.751817
H 3.701344 -0.222734 1.521485
H 5.822966 -0.612850 -0.734200
H -5.286702 -1.452656 -0.167539
H -4.571180 -1.929509 1.424300
H -4.640278 -3.121689 0.070253
H 7.231838 0.802733 0.712678
H 5.857127 0.924677 1.970637


