%chk=000160883.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160883

1 1
 O   -4.014200       1.523900      -1.926100    
 O   0.7809000       1.025700      0.6342000    
 O    1.742200     -6.8000001E-03  -1.186200    
 O    4.532900       1.555300       2.280700    
 N   -3.182000      0.2394000      0.4390000    
 C   -2.902600       1.772900      0.3390000    
 C   -2.461600     -0.1860000     -0.8800000    
 C   -3.009700       2.152400      -1.131300    
 C   -2.728700      0.9048000      -1.907800    
 C   -1.432500       2.002700      0.7633000    
 C  -0.9405000     -0.1830000     -0.5966000    
 C  -0.4297000       1.192600     -9.7400002E-02
 C   -4.688200     -7.5499997E-02  0.4002000    
 C   -2.695300     -0.4468000       1.718300    
 C   -4.887100      -1.577900      0.5344000    
 C   -6.368500      -1.944400      0.4549000    
 C    1.802000      0.4032000     -3.4000002E-02
 C   -6.577100      -3.447300      0.5517000    
 C    3.022500      0.2927000      0.8755000    
 C    3.461000       1.684900       1.351700    
 C    4.148200     -0.4644000      0.1888000    
 C    4.216300      -1.835800      0.3325000    
 C    5.069600      0.2412000     -0.5592000    
 C    5.248700      -2.530600     -0.2976000    
 C    6.101900     -0.4537000      -1.189400    
 C    6.191500      -1.839500      -1.058500    
 H   -3.614700       2.301800      0.9796000    
 H   -2.811200      -1.167600      -1.203500    
 H   -2.607600       3.105200      -1.433000    
 H   -2.115000      0.9202000      -2.793100    
 H   -1.284300       1.825700       1.833800    
 H   -1.188200       3.067700      0.6437000    
 H  -0.4475000     -0.4506000      -1.538000    
 H  -0.6771000     -0.9798000      0.1089000    
 H  -0.1973000       1.810000     -0.9769000    
 H   -5.153100      0.4641000       1.234100    
 H   -5.133700      0.2821000     -0.5259000    
 H   -1.693500     -0.1159000       1.987200    
 H   -3.373100     -0.1989000       2.540700    
 H   -2.611100      -1.522700       1.543500    
 H   -4.351400      -2.134900     -0.2393000    
 H   -4.559100      -1.957200       1.506600    
 H   -6.790100      -1.587000     -0.4920000    
 H   -6.920200      -1.449600       1.262900    
 H   -6.196700      -3.836900       1.501300    
 H   -6.065400      -3.968400     -0.2638000    
 H   -7.643500      -3.686100      0.4902000    
 H    2.720600     -0.2928000       1.755300    
 H    2.642500       2.188200       1.879200    
 H    3.756100       2.362200      0.5453000    
 H    3.485300      -2.382600      0.9204000    
 H    5.022300       1.312600     -0.7119000    
 H    4.219500       1.001100       3.015700    
 H    5.317800      -3.609800     -0.1968000    
 H    6.832500      8.2999997E-02  -1.787800    
 H    6.994300      -2.380600      -1.550700    


%chk=000160883-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160883

1 1
O -4.408823 1.584069 -0.854608
O 0.928293 1.453958 0.812771
O 1.832170 2.015289 -1.261280
O 5.737472 1.938543 0.706513
N -2.821892 -0.064272 0.677542
C -2.809567 1.421189 1.180554
C -2.268449 0.131843 -0.778682
C -3.301739 2.211646 -0.041487
C -2.968541 1.408218 -1.257763
C -1.352208 1.850461 1.460471
C -0.756740 0.448702 -0.712592
C -0.423396 1.657918 0.225654
C -4.275607 -0.669124 0.756455
C -1.951532 -0.988530 1.524365
C -4.557727 -1.812794 -0.229323
C -5.919889 -2.474938 0.112164
C 2.015576 1.644404 -0.082013
C -6.285392 -3.591162 -0.888691
C 3.334089 1.297162 0.583967
C 4.479089 2.195141 0.018684
C 3.608089 -0.202079 0.378615
C 3.854178 -1.037307 1.494254
C 3.649065 -0.757376 -0.926089
C 4.148044 -2.407821 1.312422
C 3.939455 -2.127321 -1.107808
C 4.189844 -2.956873 0.010421
H -3.453629 1.487431 2.072510
H -2.482754 -0.773519 -1.364176
H -3.305192 3.303829 0.001125
H -2.690307 1.832327 -2.226194
H -0.939333 1.301787 2.323054
H -1.354554 2.915219 1.754254
H -0.405666 0.688903 -1.731515
H -0.178477 -0.438452 -0.402219
H -0.388501 2.577733 -0.385029
H -4.370001 -1.020604 1.799958
H -4.977986 0.154051 0.581314
H -0.893806 -0.707708 1.492562
H -2.309782 -0.940272 2.564157
H -2.069202 -2.013791 1.142960
H -4.609979 -1.422355 -1.262766
H -3.768929 -2.591006 -0.199505
H -6.714058 -1.702786 0.110869
H -5.882334 -2.892834 1.138011
H -5.526034 -4.394740 -0.891500
H -6.368328 -3.196387 -1.917805
H -7.255238 -4.048312 -0.627665
H 3.226522 1.483717 1.668846
H 4.184494 3.263867 0.078951
H 4.666913 1.945732 -1.036561
H 3.839039 -0.613163 2.505447
H 3.470250 -0.119795 -1.800940
H 5.728409 2.356216 1.604160
H 4.357887 -3.040774 2.181438
H 3.985062 -2.544636 -2.119687
H 4.428754 -4.016125 -0.132770


