%chk=000058327.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058327

0 1
 O  -0.1795000      -3.014700     -0.7002000    
 N  -0.5233000     -0.7215000     -0.4359000    
 N    3.102200      4.6300001E-02 -6.4199999E-02
 C   0.8300000     -0.3828000     -0.8667000    
 C    1.739700     -0.2646000      0.3495000    
 C   -1.435800      0.3373000     -0.1146000    
 C   -3.292000      -1.358500     -0.1423000    
 C   -2.799500      4.3600000E-02  6.3800000E-02
 C   -2.230500      -2.343400      0.2990000    
 C  -0.8940000      -2.070200     -0.3579000    
 C    3.981500      0.1613000       1.100800    
 C    3.134300       1.282900     -0.8476000    
 C   -1.016300       1.672300      3.1999999E-03
 C   -3.712700       1.069200      0.3488000    
 C   -1.930400       2.686000      0.3015000    
 C    3.964100      -1.111900       1.929600    
 C    4.539100       1.583500      -1.341600    
 C   -3.277000       2.385300      0.4748000    
 H    1.202300      -1.185600      -1.516600    
 H   0.7573000      0.5013000      -1.502900    
 H    1.362200      0.4817000       1.059300    
 H    1.697800      -1.233000      0.8607000    
 H   -4.209500      -1.537000      0.4299000    
 H   -3.524500      -1.494600      -1.205500    
 H   -2.546700      -3.362100      4.8300002E-02
 H   -2.080400      -2.296800       1.384800    
 H    5.021800      0.2952000      0.7869000    
 H    3.713200       1.016200       1.734300    
 H    2.548800       1.192800      -1.765400    
 H    2.744400       2.139300     -0.2836000    
 H   1.9400001E-02   1.971400     -0.1200000    
 H   -4.770000      0.8462000      0.4676000    
 H   -1.587900       3.712800      0.3948000    
 H    4.792300      -1.092100       2.647200    
 H    4.094700      -2.004600       1.308200    
 H    3.047500      -1.216300       2.518300    
 H    4.500000       2.368700      -2.105500    
 H    5.005300      0.7052000      -1.801500    
 H    5.191300       1.957600     -0.5465000    
 H   -3.987500       3.175200      0.6994000    


%chk=000058327-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000058327

0 1
O 0.102224 -2.745634 0.667238
N -0.572124 -0.635006 -0.062488
N 3.119826 0.321063 0.185702
C 0.826502 -0.368053 -0.491500
C 1.744616 0.076088 0.675313
C -1.581745 0.378455 -0.162090
C -3.284888 -1.474457 0.048030
C -2.956675 -0.001220 -0.111174
C -2.256125 -2.139496 0.985272
C -0.823285 -1.889866 0.521736
C 4.175702 -0.324218 1.007850
C 3.380996 1.742993 -0.152261
C -1.238672 1.744325 -0.334438
C -3.950225 0.992503 -0.224930
C -2.249275 2.722229 -0.458006
C 4.209729 -1.853988 0.823268
C 4.481168 1.925145 -1.215914
C -3.611176 2.353932 -0.402935
H 1.238636 -1.304900 -0.899203
H 0.816226 0.384815 -1.297582
H 1.316838 0.973118 1.180888
H 1.752690 -0.738256 1.420323
H -4.309282 -1.606597 0.438836
H -3.250375 -1.976581 -0.941314
H -2.391158 -3.231657 1.046185
H -2.362335 -1.733937 2.011881
H 5.150885 0.092951 0.696786
H 4.056719 -0.076457 2.093224
H 2.438781 2.167642 -0.550849
H 3.634454 2.343695 0.759026
H -0.190374 2.055643 -0.357716
H -5.004315 0.692212 -0.181139
H -1.967151 3.772853 -0.588173
H 4.989918 -2.304653 1.465172
H 4.428292 -2.103558 -0.229772
H 3.243117 -2.321238 1.085190
H 4.605526 2.996032 -1.463623
H 4.214607 1.374897 -2.135053
H 5.459214 1.548557 -0.866440
H -4.395786 3.112224 -0.493118


