%chk=000080734.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080734

0 1
 O   0.1318000       1.930700      0.3859000    
 N  -0.6321000     -0.2577000      2.2200000E-02
 N    5.085300       1.577000     -0.6750000    
 C   -2.039600     -9.9500000E-02 -2.4000001E-03
 C   -2.860100      -1.197600     -0.1999000    
 C    1.729700      0.2560000      0.1555000    
 C   -4.787400      0.2509000     -4.4000000E-02
 C   -4.243600      -1.021400     -0.2209000    
 C   -2.564100       1.170600      0.1749000    
 C    4.370300     -0.6381000      5.8100000E-02
 C   0.3532000      0.7221000      0.2074000    
 C    4.067600      0.6803000     -0.2819000    
 C   -3.947600       1.346900      0.1539000    
 C    2.747200       1.127300     -0.2333000    
 C    2.032600      -1.062400      0.4957000    
 C   -2.305200      -2.571700     -0.3927000    
 C    3.352900      -1.509400      0.4469000    
 C   -6.266700      0.4397000     -6.6299997E-02
 C    5.775900      -1.143600      1.6000001E-02
 H   -4.903000      -1.872000     -0.3769000    
 H  -0.3185000      -1.203500     -0.1669000    
 H   -1.989800       2.070200      0.3328000    
 H   -4.360400       2.343000      0.2910000    
 H    2.518900       2.155800     -0.5047000    
 H    1.283100      -1.766900      0.8438000    
 H   -1.683000      -2.613000      -1.293000    
 H   -1.713100      -2.874600      0.4774000    
 H   -3.099200      -3.316700     -0.5151000    
 H    3.572900      -2.537100      0.7238000    
 H   -6.781300     -0.4342000      0.3477000    
 H   -6.565900       1.303000      0.5378000    
 H   -6.609900      0.5962000      -1.093700    
 H    6.181800      -1.066500     -0.9981000    
 H    6.408900     -0.5769000      0.7068000    
 H    5.838200      -2.197200      0.3100000    
 H    4.846000       2.528700     -0.9210000    
 H    6.050100       1.281000     -0.7234000    


%chk=000080734-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000080734

0 1
O 0.138196 2.019373 0.174338
N -0.658112 -0.183074 -0.044732
N 5.164208 1.554849 -0.623631
C -2.069912 0.001062 -0.028926
C -2.890974 -1.158877 -0.202356
C 1.754154 0.205127 0.090928
C -4.917043 0.260474 0.001325
C -4.294238 -1.000283 -0.181596
C -2.672842 1.272300 0.158854
C 4.467305 -0.697018 0.065850
C 0.355199 0.769251 0.086833
C 4.150557 0.660959 -0.273425
C -4.077496 1.387535 0.175586
C 2.798407 1.090598 -0.251616
C 2.063300 -1.136325 0.443136
C -2.276960 -2.536673 -0.396651
C 3.409791 -1.561414 0.424192
C -6.429864 0.396603 -0.015440
C 5.906791 -1.172508 0.050181
H -4.922570 -1.891220 -0.311095
H -0.340661 -1.139642 -0.208535
H -2.031615 2.145831 0.287227
H -4.526149 2.377091 0.326144
H 2.533075 2.126707 -0.491910
H 1.290406 -1.834040 0.786559
H -1.638109 -2.588403 -1.301780
H -1.657796 -2.845107 0.470686
H -3.064227 -3.299100 -0.516239
H 3.650964 -2.593113 0.707925
H -6.924413 -0.505629 0.387170
H -6.763146 1.262922 0.582855
H -6.808251 0.545242 -1.046095
H 6.362075 -1.073785 -0.956542
H 6.538914 -0.596059 0.756380
H 5.977680 -2.234185 0.339177
H 4.941224 2.519598 -0.850137
H 6.138033 1.270332 -0.636240


