%chk=000080716.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080716

0 1
 O    5.140600     -0.4297000      0.2838000    
 N  -0.3510000     -0.7610000     -0.5285000    
 C   -2.700300     -0.1992000     -5.1500000E-02
 C   -1.395800      0.1869000     -0.3999000    
 C   -3.707100      0.7887000      6.3400000E-02
 C    1.035600     -0.6766000     -0.3238000    
 C   -1.088300       1.527800     -0.6323000    
 C   -3.027500      -1.544200      0.1857000    
 C   -3.379500       2.133700     -0.1734000    
 C   -5.011600      0.4025000      0.4120000    
 C   -2.078200       2.499300     -0.5189000    
 C   -4.328800      -1.910000      0.5307000    
 C    1.906400      -1.480100      -1.065700    
 C    1.554600      0.2104000      0.6240000    
 C   -5.319000     -0.9386000      0.6436000    
 C    3.796600     -0.5112000      8.5400000E-02
 C    3.283800      -1.397700     -0.8616000    
 C    2.931900      0.2930000      0.8281000    
 C    5.659800      0.8311000      0.7042000    
 C    7.078000      0.9750000      0.1946000    
 H  -0.6451000      -1.637600     -0.9483000    
 H  -9.3000002E-02   1.845300     -0.9308000    
 H   -2.289600      -2.339300      0.1204000    
 H   -4.137700       2.909900     -9.2000000E-02
 H   -5.801400       1.145000      0.5062000    
 H   -1.840000       3.542500     -0.7058000    
 H    1.520600      -2.175000      -1.807700    
 H   0.9045000      0.8267000       1.239400    
 H   -4.568700      -2.953400      0.7137000    
 H   -6.331800      -1.224000      0.9128000    
 H    3.952500      -2.026000      -1.443500    
 H    3.287900      0.9719000       1.597400    
 H    5.078100       1.668200      0.2980000    
 H    5.653000      0.8763000       1.798800    
 H    7.512200       1.928500      0.5082000    
 H    7.706700      0.1606000      0.5696000    
 H    7.102700      0.9179000     -0.8988000    


%chk=000080716-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080716

0 1
O 5.245585 -0.226633 -0.189534
N -0.400176 -0.694524 -0.460686
C -2.768260 -0.227122 0.019432
C -1.436598 0.250749 -0.317328
C -3.862781 0.723208 0.064540
C 1.002237 -0.492471 -0.382968
C -1.231788 1.627199 -0.534704
C -3.046471 -1.602237 0.317865
C -3.611106 2.115089 -0.167038
C -5.184352 0.246659 0.356557
C -2.313830 2.548705 -0.448901
C -4.345097 -2.035647 0.604536
C 1.858686 -1.387343 -1.087444
C 1.596587 0.517628 0.416537
C -5.428503 -1.103988 0.612294
C 3.839443 -0.256448 -0.203031
C 3.255604 -1.278534 -0.992081
C 3.000811 0.642099 0.501643
C 5.897333 0.812110 0.629400
C 7.403342 0.628013 0.462191
H -0.687590 -1.637557 -0.723684
H -0.240718 1.990028 -0.819861
H -2.230422 -2.332700 0.366358
H -4.444370 2.824960 -0.121327
H -6.007010 0.971518 0.379781
H -2.116645 3.610657 -0.633747
H 1.421478 -2.170740 -1.719038
H 0.965500 1.193974 1.000046
H -4.531403 -3.089336 0.839314
H -6.443751 -1.451001 0.833624
H 3.913737 -1.967115 -1.530685
H 3.420779 1.432444 1.130852
H 5.573694 1.815286 0.281228
H 5.593108 0.692722 1.690306
H 7.947904 1.381010 1.060544
H 7.711791 -0.376644 0.798313
H 7.694352 0.743584 -0.595803


