%chk=000078458.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000078458

0 1
 O   0.1426000      0.3349000      -1.853700    
 O   -2.477500      -2.676000      0.8118000    
 O  -0.9707000      -2.229700     -0.8304000    
 N   0.8099000      0.3901000      0.3950000    
 C   -1.513700      0.6164000     -0.2448000    
 C   -2.341200     -0.4708000      3.6800001E-02
 C  -0.1259000      0.4274000     -0.6464000    
 C    2.216300      0.2445000      0.3094000    
 C   -2.010900       1.915800     -0.1435000    
 C   -3.665600     -0.2584000      0.4197000    
 C   -3.335400       2.127900      0.2393000    
 C   -4.162600       1.041000      0.5208000    
 C    2.808300      0.1176000     -0.9356000    
 C    2.967300      0.2332000       1.472400    
 C    4.193200     -2.5400000E-02  -1.020300    
 C    4.352300      9.0300001E-02   1.387600    
 C   -1.851500      -1.839800     -5.9400000E-02
 C    4.965200     -3.9000001E-02  0.1412000    
 H   -1.376400       2.771500     -0.3604000    
 H   0.4451000      0.4819000       1.341200    
 H   -4.339900      -1.083700      0.6330000    
 H   -3.722800       3.139600      0.3173000    
 H   -5.194700       1.206700      0.8158000    
 H    2.282000      0.1184000      -1.878200    
 H    2.499900      0.3331000       2.448000    
 H    4.671800     -0.1262000      -1.990100    
 H    4.953500      7.9700001E-02   2.292000    
 H    6.043500     -0.1503000      7.5300001E-02
 H   -2.141900      -3.595000      0.7409000    


%chk=000078458-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000078458

0 1
O 0.316492 1.682263 -1.394020
O -2.682024 -2.552103 1.283990
O -0.558564 -1.734290 1.530778
N 0.867112 0.103998 0.236998
C -1.535115 0.731840 -0.160695
C -2.298350 -0.315149 0.478541
C -0.033591 0.854293 -0.487917
C 2.284553 0.088873 0.116777
C -2.263392 1.843554 -0.668685
C -3.720090 -0.199459 0.552402
C -3.661185 1.956606 -0.559243
C -4.401619 0.922022 0.053182
C 3.018767 0.897765 -0.794227
C 2.980992 -0.802621 0.982351
C 4.427351 0.803512 -0.822375
C 4.386025 -0.883363 0.940112
C -1.737739 -1.539804 1.115230
C 5.121052 -0.079209 0.036193
H -1.678576 2.611349 -1.183242
H 0.468274 -0.570666 0.919596
H -4.278397 -1.013378 1.020285
H -4.167310 2.841953 -0.958480
H -5.491261 0.984042 0.137584
H 2.480831 1.576452 -1.457336
H 2.414605 -1.429133 1.682182
H 4.985922 1.429968 -1.527232
H 4.907523 -1.574252 1.611958
H 6.214105 -0.141673 0.003069
H -2.246195 -3.317690 1.746924


