%chk=000068801.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068801

0 1
 O    1.757600      0.5618000       1.663300    
 O   -2.427200       1.595800      -1.793400    
 N    2.961800     -0.9943000      0.3838000    
 N    5.017300     -0.8840000     -0.7803000    
 C   0.8399000      -1.661400       1.341600    
 C  -0.1898000      -1.626200      0.2633000    
 C   0.2075000      -1.585300       2.744500    
 C   -1.009100     -0.5067000      0.1166000    
 C    1.899500     -0.5530000       1.169100    
 C   -1.949200     -0.5069000     -0.8873000    
 C  -0.3344000      -2.713800     -0.5981000    
 C   -2.116900      -1.562500      -1.753000    
 C   -1.297900      -2.681800      -1.606300    
 C   -2.827300      0.6918000      -1.044600    
 C    4.104000     -0.2604000     -1.5100000E-02
 C   -4.103900      0.8183000     -0.3598000    
 C    4.189000       1.046300      0.4167000    
 C    5.307800       1.775600      2.9800000E-02
 C   -4.548000     -0.2019000      0.4815000    
 C   -4.883900       1.960000     -0.5436000    
 C    6.281700       1.176600     -0.7617000    
 C    6.091000     -0.1436000      -1.136500    
 C    5.463700       3.193900      0.4618000    
 C   -5.772500     -8.0499999E-02   1.138700    
 C   -6.108300       2.081300      0.1138000    
 C   -6.552400       1.061000      0.9550000    
 H    1.366800      -2.625500       1.309800    
 H   0.9816000      -1.665900       3.515800    
 H  -0.3194000     -0.6395000       2.911900    
 H  -0.5093000      -2.400200       2.894400    
 H  -0.9094000      0.3499000      0.7767000    
 H   0.2957000      -3.593400     -0.4979000    
 H   -2.865600      -1.541500      -2.539000    
 H   -1.410300      -3.528600      -2.277200    
 H    2.941200      -1.948700      3.3199999E-02
 H    3.474600       1.569300       1.029500    
 H   -3.973200      -1.106700      0.6536000    
 H   -4.560900       2.769200      -1.193200    
 H    7.168000       1.713500      -1.081900    
 H    6.821300     -0.6570000      -1.753300    
 H    6.307600       3.681000     -3.8199998E-02
 H    4.564200       3.769300      0.2185000    
 H    5.637300       3.242600       1.541600    
 H   -6.118700     -0.8746000       1.793900    
 H   -6.716000       2.970100     -2.8999999E-02
 H   -7.505600       1.155500       1.466800    


%chk=000068801-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000068801

0 1
O 1.059785 0.249690 1.552851
O -3.539926 0.040750 -2.758747
N 2.742670 -0.982938 0.482131
N 4.817186 -0.509250 -0.424708
C 0.687532 -2.160338 1.177405
C -0.301266 -2.226459 0.004528
C -0.031800 -2.247250 2.546891
C -1.259129 -1.200412 -0.193527
C 1.505488 -0.848737 1.103418
C -2.180586 -1.267340 -1.269720
C -0.280155 -3.326569 -0.887212
C -2.131706 -2.369649 -2.165768
C -1.191572 -3.397543 -1.967953
C -3.167276 -0.167832 -1.560343
C 3.717380 0.009216 0.205608
C -3.717326 0.681283 -0.448210
C 3.573830 1.377745 0.539677
C 4.623697 2.268663 0.204638
C -3.880081 0.197693 0.878392
C -4.161826 1.993328 -0.766936
C 5.765959 1.739836 -0.450228
C 5.816409 0.358217 -0.740528
C 4.517853 3.740481 0.551984
C -4.466853 1.016801 1.867503
C -4.731108 2.815421 0.224859
C -4.884423 2.329026 1.546425
H 1.380837 -3.019725 1.087503
H 0.699722 -2.298984 3.373212
H -0.655134 -1.351349 2.705662
H -0.674228 -3.144091 2.586535
H -1.248955 -0.327660 0.468805
H 0.451151 -4.131272 -0.739336
H -2.831116 -2.389960 -3.007732
H -1.160885 -4.252357 -2.652124
H 3.026596 -1.906948 0.140430
H 2.665241 1.715649 1.042453
H -3.578945 -0.825079 1.127611
H -4.054140 2.341185 -1.799647
H 6.601294 2.388953 -0.731582
H 6.684078 -0.079597 -1.246319
H 5.339105 4.324764 0.103922
H 3.559735 4.164178 0.200841
H 4.553899 3.888545 1.647721
H -4.600751 0.632345 2.884536
H -5.058684 3.830065 -0.026661
H -5.331677 2.966402 2.317543


