%chk=000071983.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071983

0 1
 O    4.051700      9.3900003E-02   1.113800    
 O   -2.428900      -2.902500      0.3908000    
 O    5.354800      0.4514000     -0.7434000    
 O   -5.061300      -2.213900     -0.1618000    
 N   0.2097000       1.443000      0.1834000    
 N   -1.470600       3.032700     -0.3432000    
 N   -2.759300       3.369400     -0.6140000    
 N    5.513300      -1.504700      0.4940000    
 C    3.015800      0.9487000      0.6449000    
 C    2.058300       1.237700       1.795400    
 C    2.266400      0.2729000     -0.4994000    
 C   0.8633000       2.070500       1.338200    
 C    1.075300       1.109500     -0.9574000    
 C   -1.132500       1.734600     -8.9500003E-02
 C   -2.103500      0.7174000     -0.1011000    
 C   -3.433600       1.065000     -0.3803000    
 C   -1.775400     -0.6241000      0.1574000    
 C    5.009200     -0.2559000      0.1973000    
 C   -4.423300      6.7900002E-02 -0.3980000    
 C   -3.705600       2.405700     -0.6294000    
 C   -2.765800      -1.606900      0.1373000    
 C   -4.087200      -1.261500     -0.1398000    
 C    6.539800      -2.160500     -0.2830000    
 C    6.982800      -1.304700      -1.451700    
 C   -2.057900      -3.706200     -0.7273000    
 C   -5.735400      -2.479600       1.066600    
 H    3.458500       1.894900      0.3071000    
 H    1.707200      0.2900000       2.225300    
 H    2.589300       1.752700       2.605000    
 H    2.918600      9.1899998E-02  -1.360300    
 H    1.921200     -0.7180000     -0.1746000    
 H    1.187300       3.083700       1.070800    
 H   0.1570000       2.159200       2.172600    
 H   0.5196000      0.5419000      -1.714000    
 H    1.422200       2.035000      -1.433500    
 H  -0.7548000     -0.9252000      0.3822000    
 H   -5.457700      0.3274000     -0.6142000    
 H   -4.708100       2.755900     -0.8531000    
 H    5.141400      -1.991300       1.303900    
 H    6.132200      -3.114900     -0.6302000    
 H    7.378600      -2.370300      0.3876000    
 H    7.758700      -1.852800      -2.001200    
 H    7.456100     -0.3682000      -1.139000    
 H    6.182800      -1.128700      -2.178300    
 H   -1.824800      -4.711000     -0.3647000    
 H   -2.882900      -3.775200      -1.443400    
 H   -1.168900      -3.295400      -1.216300    
 H   -5.029300      -2.830300       1.825900    
 H   -6.254200      -1.583300       1.421000    
 H   -6.475500      -3.264500      0.8884000    


%chk=000071983-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000071983

0 1
O 4.167367 0.226152 0.785503
O -2.603256 -2.899699 -0.370206
O 5.149526 0.253033 -1.367602
O -5.373623 -2.002015 -0.520526
N 0.159589 1.539783 0.377332
N -1.562177 3.065904 0.851950
N -2.903740 3.442232 0.913097
N 6.164031 -0.811177 0.471361
C 3.017903 1.016769 0.260031
C 2.375296 1.710176 1.468210
C 2.013648 0.098882 -0.461966
C 1.099091 2.474224 1.046685
C 0.755965 0.911140 -0.832855
C -1.214762 1.804128 0.449299
C -2.207437 0.768730 0.184737
C -3.581954 1.200008 0.166468
C -1.920420 -0.618024 0.014583
C 5.174077 -0.089881 -0.155225
C -4.618673 0.251333 -0.080346
C -3.851347 2.568557 0.515819
C -2.945147 -1.537394 -0.234039
C -4.318550 -1.098703 -0.272703
C 7.342216 -1.321674 -0.246013
C 7.346741 -2.859543 -0.372520
C -2.917748 -3.493553 -1.693991
C -5.575368 -3.028977 0.532747
H 3.416323 1.759588 -0.459012
H 2.113481 0.948814 2.225938
H 3.093628 2.414288 1.926435
H 2.476595 -0.315548 -1.375118
H 1.738197 -0.737273 0.208545
H 1.353881 3.318749 0.368851
H 0.591173 2.914942 1.917148
H 0.013765 0.277809 -1.340103
H 1.038816 1.715373 -1.551221
H -0.901165 -1.002733 0.102060
H -5.668245 0.563578 -0.086087
H -4.875925 2.956533 0.521342
H 6.036245 -1.019949 1.462477
H 8.259853 -0.978772 0.270566
H 7.327160 -0.854478 -1.245191
H 8.249055 -3.194730 -0.916144
H 6.457724 -3.206736 -0.927145
H 7.348656 -3.347720 0.619888
H -2.648588 -4.556723 -1.606685
H -3.989853 -3.380522 -1.933324
H -2.303065 -3.011590 -2.477276
H -4.656326 -3.621084 0.689736
H -5.876869 -2.541297 1.478570
H -6.391166 -3.667634 0.162722


