%chk=000147948.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000147948

0 1
 O    3.627000      -1.054200     -0.5078000    
 N    4.543800       1.498400      0.2429000    
 N  -0.9068000      0.5113000     -0.5793000    
 N   -1.443100      0.1460000      0.4931000    
 C    2.738700     -3.4299999E-02 -0.3382000    
 C    3.172000       1.238600      3.3300001E-02
 C    1.380200     -0.2766000     -0.5421000    
 C   0.4620000      0.7550000     -0.3733000    
 C    2.246700       2.269000      0.2013000    
 C   0.8884000       2.026600     -2.7000001E-03
 C    3.460700      -2.202000      0.3216000    
 C    4.811500      -2.847300      0.5471000    
 C   -2.805100     -9.6400000E-02  0.2887000    
 C   -3.238600      -1.369100     -8.2800001E-02
 C   -3.730100      0.9343000      0.4557000    
 C   -4.597000      -1.611100     -0.2876000    
 C   -5.088500      0.6923000      0.2509000    
 C   -5.521800     -0.5805000     -0.1208000    
 H    1.036300      -1.263700     -0.8412000    
 H    2.571200       3.265400      0.4906000    
 H   0.1743000       2.835000      0.1292000    
 H    3.026200      -1.927500       1.290900    
 H    2.790100      -2.909000     -0.1789000    
 H    4.719200      -3.740000       1.172000    
 H    5.268300      -3.129700     -0.4072000    
 H    5.497300      -2.145000       1.032600    
 H    5.219300      0.7547000      0.1268000    
 H    4.850100       2.423300      0.5136000    
 H   -2.525700      -2.179000     -0.2147000    
 H   -3.402300       1.929300      0.7457000    
 H   -4.934600      -2.602100     -0.5768000    
 H   -5.808800       1.494700      0.3810000    
 H   -6.579400     -0.7689000     -0.2802000    


%chk=000147948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000147948

0 1
O 3.764704 -0.738289 0.589389
N 4.768556 1.346013 -0.707430
N -0.850308 0.787489 -0.620763
N -1.352789 -0.246178 0.021736
C 2.805074 0.107705 -0.003404
C 3.390029 1.227980 -0.698154
C 1.422704 -0.071810 0.045026
C 0.563498 0.870892 -0.605243
C 2.523861 2.154673 -1.338185
C 1.130392 1.977202 -1.291519
C 3.265757 -1.915636 1.328238
C 4.483817 -2.658297 1.869138
C -2.783457 -0.316257 -0.004063
C -3.637793 0.621420 -0.654106
C -3.350777 -1.422181 0.684274
C -5.033238 0.442865 -0.608081
C -4.750377 -1.593776 0.725727
C -5.597435 -0.662288 0.079889
H 0.949610 -0.910813 0.562839
H 2.954554 3.011111 -1.869556
H 0.452073 2.683496 -1.780228
H 2.601012 -1.572509 2.146542
H 2.674865 -2.550920 0.637906
H 4.160130 -3.554089 2.429336
H 5.142560 -2.983207 1.045442
H 5.065702 -2.013976 2.550432
H 5.322159 0.640586 -0.226323
H 5.228521 2.116323 -1.183034
H -3.183152 1.467105 -1.179028
H -2.672667 -2.128263 1.175552
H -5.690737 1.163787 -1.107974
H -5.180343 -2.449341 1.258529
H -6.685006 -0.793317 0.110497


