%chk=000097407.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000097407

0 1
 O   -1.459600      0.2610000      -2.136200    
 O   0.2430000       1.743400      0.1996000    
 N    4.586100      0.3069000     -7.9499997E-02
 N    1.045200      0.1019000      -1.212900    
 C   -1.358900      0.1410000     -0.7027000    
 C    3.195500     -0.1286000     -6.6200003E-02
 C    2.420500      0.5419000      -1.190900    
 C   4.2100001E-02  0.7509000     -0.5007000    
 C   -2.464400      0.9766000     -4.6500001E-02
 C   -1.473500      -1.327100     -0.2782000    
 C    4.673600       1.760200      7.6899998E-02
 C    5.347200     -0.3633000      0.9768000    
 C   -2.521500       1.026300       1.325800    
 C   -2.245900      -2.172200      -1.039700    
 C   -3.352500       1.641900     -0.8577000    
 C  -0.7992000      -1.740100      0.8466000    
 C    6.114600       2.235000     -2.3000001E-03
 C    5.270600      -1.874000      0.8345000    
 C   -3.527000       1.786700       1.922900    
 C   -2.350200      -3.508400     -0.6536000    
 C   -4.358000       2.402300     -0.2606000    
 C  -0.9034000      -3.076400       1.232500    
 C   -4.445200       2.474600       1.129800    
 C   -1.679000      -3.960600      0.4823000    
 H    3.108800      -1.207100     -0.2383000    
 H    2.717600      8.1100002E-02  0.9003000    
 H    2.852100      0.2913000      -2.166500    
 H    2.381300       1.629600      -1.103400    
 H   0.8258000     -0.7303000      -1.750900    
 H    4.178600       2.282100     -0.7455000    
 H    4.217100       2.102800       1.013900    
 H    6.410500     -0.1131000      0.9035000    
 H    5.004900     -7.0299998E-02   1.977400    
 H   -1.809100      0.5233000       1.968300    
 H   -2.788800      -1.837900      -1.917700    
 H   -3.320000       1.609900      -1.941100    
 H  -0.1843000      -1.073300       1.442000    
 H    6.680800       2.007400      0.9061000    
 H    6.637100       1.807000     -0.8648000    
 H    6.136600       3.325000     -0.1164000    
 H    4.305800      -2.277200       1.157600    
 H    5.468800      -2.197600     -0.1930000    
 H    6.029600      -2.339900       1.473400    
 H  -0.9696000     -0.4663000      -2.555100    
 H   -3.591900       1.847800       3.005400    
 H   -2.956900      -4.196200      -1.235400    
 H   -5.073400       2.938200     -0.8775000    
 H  -0.3796000      -3.429100       2.116100    
 H   -5.227200       3.067800       1.594700    
 H   -1.760500      -5.000900      0.7831000    


%chk=000097407-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000097407

0 1
O -1.778261 0.075020 -2.240827
O 0.334629 1.737415 -0.446834
N 4.504469 0.424629 0.183272
N 1.003053 -0.403839 -1.051409
C -1.440793 -0.002093 -0.785697
C 3.134110 -0.130106 0.264421
C 2.431435 -0.044542 -1.116175
C 0.042859 0.533064 -0.693859
C -2.417552 0.958814 -0.097483
C -1.570466 -1.451843 -0.288167
C 4.527476 1.905954 0.352005
C 5.492827 -0.280125 1.040704
C -3.133294 0.607689 1.071660
C -2.399598 -2.363183 -0.987674
C -2.601581 2.249463 -0.656206
C -0.920712 -1.885842 0.898123
C 5.712251 2.574224 -0.370787
C 5.895250 -1.658460 0.482170
C -4.018593 1.530898 1.674541
C -2.561463 -3.688055 -0.523472
C -3.488572 3.167577 -0.058193
C -1.084653 -3.209411 1.363905
C -4.199714 2.813641 1.112638
C -1.902565 -4.117437 0.651599
H 3.186729 -1.188890 0.579237
H 2.505729 0.405303 1.014877
H 2.944643 -0.706619 -1.834940
H 2.496777 0.990095 -1.492774
H 0.738698 -1.392258 -1.071414
H 3.583416 2.309225 -0.058736
H 4.537345 2.185534 1.435424
H 6.397246 0.352858 1.095192
H 5.121717 -0.389663 2.091635
H -3.014848 -0.386647 1.513345
H -2.918262 -2.014857 -1.886377
H -2.053583 2.520068 -1.561736
H -0.294293 -1.185605 1.464257
H 6.685446 2.216399 0.012328
H 5.672082 2.354090 -1.451782
H 5.679840 3.670813 -0.230343
H 5.031927 -2.346289 0.418716
H 6.316417 -1.546482 -0.532049
H 6.652965 -2.134304 1.132471
H -1.043465 -0.358477 -2.751437
H -4.568618 1.243725 2.577944
H -3.206354 -4.381707 -1.074631
H -3.622393 4.160347 -0.502345
H -0.578174 -3.529799 2.281265
H -4.888232 3.528206 1.578247
H -2.029100 -5.144520 1.011573


