%chk=000024361.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000024361

0 1
 O  -0.5831000     -0.4694000       1.409300    
 N   -2.997200     -0.4866000      8.0200002E-02
 N   0.5134000     -0.4330000     -0.6663000    
 C   -4.231500     -0.8219000     -0.6289000    
 C   -3.007800      0.9716000      0.1925000    
 C   -5.257200      9.4899997E-02  2.1000000E-02
 C   -4.453400       1.275300      0.5577000    
 C   -1.811700     -0.9827000     -0.6029000    
 C  -0.5740000     -0.5980000      0.1892000    
 C    1.838600     -7.7000000E-02 -0.3197000    
 C    2.197000       1.262300     -0.2829000    
 C    2.756600      -1.073600     -2.3399999E-02
 C    3.503400       1.613200      5.7500001E-02
 C    4.063000     -0.7227000      0.3173000    
 C    1.220600       2.348400     -0.6001000    
 C    2.387000      -2.521300     -5.8200002E-02
 C    4.436200      0.6207000      0.3577000    
 H   -4.501700      -1.876000     -0.5121000    
 H   -4.160000     -0.5959000      -1.700600    
 H   -2.760500       1.454400     -0.7621000    
 H   -2.331100       1.357200      0.9609000    
 H   -5.765600     -0.4141000      0.8483000    
 H   -6.020200      0.4159000     -0.6953000    
 H   -4.786400       2.223200      0.1230000    
 H   -4.575400       1.342300       1.645200    
 H   -1.832300      -2.077700     -0.6557000    
 H   -1.750000     -0.5937000      -1.627000    
 H   0.4106000     -0.7558000      -1.626000    
 H    3.811300       2.654700      9.4700001E-02
 H    4.802600      -1.482700      0.5549000    
 H   0.7803000       2.193900      -1.590800    
 H   0.4231000       2.375200      0.1497000    
 H    1.696800       3.335000     -0.6098000    
 H    3.252400      -3.167500      0.1248000    
 H    1.642100      -2.743800      0.7129000    
 H    1.984400      -2.793000      -1.039700    
 H    5.453300      0.8940000      0.6234000    


%chk=000024361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000024361

0 1
O -0.058117 2.859938 -0.549708
N -2.546321 0.160666 -0.581300
N 0.114653 0.499844 -0.455819
C -3.637191 -0.436686 -1.402627
C -3.053338 0.116447 0.820136
C -4.115745 -1.642383 -0.551900
C -3.718135 -1.279400 0.922265
C -2.037868 1.475584 -1.023022
C -0.554457 1.698705 -0.638467
C 1.491815 0.292277 -0.118310
C 2.537349 0.882834 -0.889188
C 1.782589 -0.573847 0.980565
C 3.877313 0.621148 -0.505403
C 3.133272 -0.821756 1.315641
C 2.255251 1.731399 -2.111411
C 0.662592 -1.205651 1.789284
C 4.180852 -0.218725 0.585607
H -3.255626 -0.728007 -2.397040
H -4.473999 0.287686 -1.552525
H -3.804273 0.924478 0.996966
H -2.228183 0.263981 1.538402
H -3.603598 -2.566577 -0.869302
H -5.201132 -1.805363 -0.665035
H -4.589533 -1.257786 1.598738
H -3.004313 -2.020441 1.321445
H -2.098489 1.533576 -2.126786
H -2.617292 2.333343 -0.617075
H -0.550237 -0.296714 -0.458576
H 4.688127 1.074396 -1.087780
H 3.361591 -1.481084 2.161335
H 1.504333 1.251052 -2.767362
H 1.836642 2.711602 -1.819874
H 3.175902 1.890612 -2.698218
H 1.068302 -1.770516 2.645337
H -0.028951 -0.437298 2.183170
H 0.055549 -1.911361 1.187033
H 5.224266 -0.410173 0.859502


