%chk=000052420.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052420

0 1
 O   -9.206700      0.5297000      0.9690000    
 O   -7.768100      -1.199200      0.6727000    
 N   0.6863000     -0.2348000      -1.461100    
 N    4.026000      -1.381600      0.7969000    
 N    5.722400       3.112600      0.7563000    
 C    1.818700     -0.6237000     -0.6955000    
 C    2.780000      0.3301000     -0.3459000    
 C    1.962300      -1.956900     -0.2982000    
 C    3.882800     -9.8700002E-02  0.4116000    
 C   -4.477900       1.644200      2.0400001E-02
 C    3.097300      -2.296300      0.4575000    
 C   -3.124800       1.151900     -0.3679000    
 C  -0.5847000      0.2282000      -1.096300    
 C   -5.540100      0.5443000      0.2176000    
 C    2.661200       1.676700     -0.7318000    
 C    4.843300      0.8463000      0.7627000    
 C   -2.188300      0.8376000      0.6168000    
 C   -2.795700       1.005900      -1.715600    
 C  -0.9225000      0.3774000      0.2538000    
 C   -1.530000      0.5456000      -2.078500    
 C    1.012000      -2.936500     -0.6354000    
 C    4.728400       2.185200      0.3810000    
 C   -6.925300       1.083000      0.5884000    
 C    3.635100       2.601700     -0.3679000    
 C    3.245900      -3.622100      0.8562000    
 C    1.184100      -4.254800     -0.2245000    
 C    2.303400      -4.598000      0.5229000    
 C   -7.972500      4.0000002E-03  0.7554000    
 C    5.447500       4.498300      0.9794000    
 H   -4.834800       2.353500     -0.7385000    
 H   -4.398300       2.233400      0.9438000    
 H   0.8444000     -0.3113000      -2.461700    
 H   -5.619700     -5.0799999E-02 -0.7017000    
 H   -5.201800     -0.1511000      0.9969000    
 H    1.822400       2.034400      -1.323300    
 H    5.704700      0.5306000       1.350400    
 H   -2.433400      0.9451000       1.670100    
 H   -3.517400       1.245300      -2.492000    
 H  -0.2133000      0.1397000       1.042400    
 H   -1.288300      0.4362000      -3.132900    
 H   0.1277000      -2.703400      -1.222700    
 H   -6.861600       1.638300       1.530700    
 H   -7.267600       1.764000     -0.1991000    
 H    3.517000       3.631800     -0.6903000    
 H    4.114600      -3.916000       1.442600    
 H   0.4493000      -5.009700     -0.4871000    
 H    2.447300      -5.624100      0.8484000    
 H    6.554400       2.725500       1.189900    
 H    4.613400       4.635100       1.675500    
 H    5.225300       5.019600      4.3000001E-02
 H    6.326400       4.982100       1.417700    
 H   -9.890700     -0.1678000       1.057800    


%chk=000052420-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000052420

0 1
O -9.059022 1.597074 1.298895
O -7.998652 -0.368787 0.666659
N 0.533714 -0.938770 -1.391002
N 4.277727 -1.482487 0.678984
N 4.881052 3.276234 1.256104
C 1.745243 -1.084507 -0.674355
C 2.507122 0.035516 -0.219219
C 2.264542 -2.408260 -0.467415
C 3.762201 -0.220402 0.491474
C -4.306043 1.996654 -0.087820
C 3.559512 -2.542047 0.192605
C -3.014630 1.266806 -0.426174
C -0.615302 -0.180457 -1.045521
C -5.471601 1.025292 0.242747
C 2.150399 1.405053 -0.470946
C 4.524766 0.881408 0.983451
C -1.993389 1.082489 0.540156
C -2.808635 0.705029 -1.712890
C -0.813259 0.367854 0.250319
C -1.630633 -0.000447 -2.025661
C 1.561865 -3.601103 -0.855342
C 4.126297 2.212981 0.765339
C -6.766859 1.785160 0.586007
C 2.922186 2.458903 -0.000493
C 4.112108 -3.861001 0.365322
C 2.124533 -4.862615 -0.664003
C 3.420727 -4.991625 -0.060009
C -7.948237 0.868414 0.836383
C 4.558307 4.687474 1.056687
H -4.612150 2.640799 -0.937390
H -4.140838 2.669637 0.776875
H 0.391730 -1.611751 -2.146842
H -5.652427 0.350870 -0.614507
H -5.182688 0.373017 1.087803
H 1.251988 1.625714 -1.053558
H 5.449281 0.641792 1.520302
H -2.125992 1.498443 1.546812
H -3.576281 0.831543 -2.486794
H -0.053155 0.228072 1.024561
H -1.486148 -0.406597 -3.034823
H 0.551240 -3.527459 -1.274443
H -6.635578 2.427687 1.477865
H -7.048664 2.473481 -0.236724
H 2.618983 3.487019 -0.221160
H 5.091338 -3.926873 0.849611
H 1.571065 -5.761022 -0.958329
H 3.854594 -5.988131 0.080083
H 5.724997 3.045772 1.777464
H 3.568541 4.951169 1.480540
H 4.559580 4.971206 -0.015441
H 5.316173 5.304121 1.567407
H -9.821531 0.972160 1.440307


