%chk=000052891.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000052891

0 1
 O    4.992300       1.203300     -0.7581000    
 N    2.688100     -2.4999999E-03  0.3734000    
 N    1.297300      -1.289100     -0.8986000    
 C    2.030000      -2.197600      4.5100000E-02
 C    3.244400       1.189400      0.9578000    
 C    2.837900      -1.289600       1.007300    
 C    1.761400     -9.3800001E-02 -0.6305000    
 C    1.279000       1.103300      -1.389800    
 C    3.974000       1.981200     -0.1390000    
 C   0.9988000      -3.037500      0.7972000    
 C    2.951100      -3.093200     -0.7870000    
 C    4.241000      0.7729000       2.045500    
 C    2.106300       2.005900       1.580500    
 C  -0.1589000      0.9093000      -1.860500    
 C   -1.141500      0.7502000     -0.6963000    
 C   -2.569200      0.5271000      -1.201700    
 C   -3.544900      0.3361000     -3.8800001E-02
 C   -5.004300      0.1983000     -0.4829000    
 C   -6.037900      8.9900002E-02  0.6422000    
 C   -7.479900      1.7500000E-02  0.1397000    
 C   -8.465100     -8.1000000E-02   1.294400    
 H    3.878700      -1.622000       1.072700    
 H    2.390200      -1.288600       2.007500    
 H    1.308600       2.032600     -0.8396000    
 H    1.922400       1.212800      -2.270600    
 H    3.338200       2.383200     -0.9253000    
 H    4.466300       2.850000      0.3161000    
 H   0.2977000      -2.400800       1.348700    
 H    1.482900      -3.710700       1.512600    
 H   0.4050000      -3.645400      0.1051000    
 H    3.509800      -3.786900     -0.1496000    
 H    3.674100      -2.497500      -1.355900    
 H    2.377600      -3.683600      -1.510600    
 H    3.761000      0.2591000       2.886000    
 H    4.725800       1.660600       2.471700    
 H    5.048700      0.1380000       1.664300    
 H    1.630000       2.715400      0.9034000    
 H    2.493800       2.627800       2.397700    
 H    1.328000       1.365500       2.011700    
 H  -0.4507000       1.779200      -2.462300    
 H  -0.2287000      3.9299998E-02  -2.525500    
 H  -0.8617000     -9.1200002E-02 -5.4000001E-02
 H   -1.110500       1.650800     -7.0500001E-02
 H   -2.601100     -0.3556000      -1.851500    
 H   -2.881200       1.386900      -1.806800    
 H   -3.464700       1.192300      0.6425000    
 H   -3.259800     -0.5532000      0.5366000    
 H   -5.261000       1.065000      -1.105600    
 H   -5.093200     -0.6832000      -1.130600    
 H    5.436900       1.776600      -1.405600    
 H   -5.930700      0.9562000       1.306800    
 H   -5.815300     -0.7994000       1.244500    
 H   -7.601100     -0.8531000     -0.5150000    
 H   -7.710500      0.9075000     -0.4568000    
 H   -8.389400      0.7920000       1.950500    
 H   -9.490100     -0.1324000      0.9143000    
 H   -8.279400     -0.9785000       1.893200    


%chk=000052891-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000052891

0 1
O 4.590813 1.558607 -1.389458
N 2.974709 -0.015549 0.416878
N 1.150213 -1.242318 -0.311443
C 2.069071 -2.232248 0.361972
C 3.764442 1.161300 0.890208
C 3.171974 -1.351412 1.048264
C 1.729483 -0.054776 -0.256571
C 1.118125 1.150048 -0.951144
C 3.991384 2.219004 -0.224015
C 1.274782 -3.076903 1.377291
C 2.684117 -3.129977 -0.740142
C 5.169164 0.681562 1.345608
C 3.042519 1.859723 2.081853
C -0.284714 0.887431 -1.545354
C -1.403149 0.758266 -0.487653
C -2.802245 0.580928 -1.118336
C -3.929073 0.431495 -0.071423
C -5.332173 0.266731 -0.698229
C -6.456872 0.106237 0.349596
C -7.862235 -0.046406 -0.276330
C -8.977902 -0.210332 0.778882
H 4.184948 -1.743927 0.855154
H 3.020545 -1.299394 2.149342
H 1.055028 2.005522 -0.248053
H 1.812246 1.452039 -1.761181
H 3.045243 2.722122 -0.496037
H 4.677282 2.986514 0.195942
H 0.799149 -2.429781 2.136168
H 1.934333 -3.801027 1.892663
H 0.476319 -3.636641 0.859112
H 3.331319 -3.912001 -0.298463
H 3.287144 -2.522456 -1.438855
H 1.879437 -3.619054 -1.316586
H 5.110156 -0.029150 2.186760
H 5.756253 1.553905 1.686486
H 5.703640 0.210408 0.504301
H 2.042782 2.226576 1.787835
H 3.630190 2.716744 2.461673
H 2.908885 1.144481 2.913133
H -0.530530 1.723041 -2.233780
H -0.248358 -0.040157 -2.145694
H -1.172877 -0.109205 0.158418
H -1.408198 1.661063 0.161374
H -2.792530 -0.314046 -1.774849
H -3.026454 1.447950 -1.776074
H -3.928909 1.318432 0.597037
H -3.710058 -0.443842 0.574935
H -5.552546 1.145958 -1.339837
H -5.330555 -0.615784 -1.371947
H 4.835641 2.242465 -2.061998
H -6.453549 0.984359 1.029330
H -6.241869 -0.778300 0.985276
H -7.863698 -0.921667 -0.957874
H -8.076762 0.839407 -0.908821
H -9.013191 0.664554 1.455518
H -9.972699 -0.313736 0.307184
H -8.803687 -1.107981 1.401954


