%chk=000063273.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000063273

0 1
 O    3.012400       2.592400     -0.3285000    
 O   -1.344100     -0.1811000      -1.503200    
 N    1.071300       1.413200      0.2405000    
 N    1.169800     -0.9420000      0.5526000    
 N   -5.161300     -0.1938000       1.295400    
 C   0.5082000      0.1727000      0.5337000    
 C  -0.9677000      0.1177000      0.8495000    
 C    3.206100      0.2800000     -4.6300001E-02
 C    2.539600     -0.9088000      0.2612000    
 C    2.435600       1.541700     -6.2300000E-02
 C   0.2553000       2.626400      0.2404000    
 C   -1.821600     -9.3300000E-02 -0.3742000    
 C    4.575800      0.2794000     -0.3332000    
 C    3.265200      -2.105400      0.2784000    
 C   -3.298700     -0.1995000     -0.1920000    
 C    5.285600     -0.9204000     -0.3126000    
 C    4.631500      -2.111900     -6.8999999E-03
 C   -4.103600     -0.3915000      -1.284300    
 C   -3.832800     -0.1051000       1.061000    
 C   -5.476100     -0.4876000      -1.083400    
 C   -5.950500     -0.3832000      0.2142000    
 H   -1.116800     -0.7395000       1.518700    
 H   -1.284400       1.020300       1.376100    
 H   0.8045000       3.483500     -0.1583000    
 H  -3.8100000E-02   2.851500       1.270400    
 H  -0.6404000       2.476600     -0.3681000    
 H    5.104100       1.197700     -0.5736000    
 H    2.768200      -3.043200      0.5150000    
 H    6.348800     -0.9262000     -0.5346000    
 H    5.184500      -3.046500      9.3999999E-03
 H   -3.710600     -0.4708000      -2.292800    
 H   -3.253600      4.4500001E-02   1.963400    
 H   -6.153300     -0.6395000      -1.916100    
 H   -7.012800     -0.4515000      0.4243000    


%chk=000063273-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000063273

0 1
O 3.019620 2.651138 -0.465436
O -1.432984 0.386919 -1.522272
N 1.108650 1.432042 0.171303
N 1.193434 -0.935170 0.623843
N -5.232704 -0.600484 1.342621
C 0.527855 0.208612 0.534234
C -0.949832 0.158891 0.867970
C 3.250140 0.265962 -0.061721
C 2.565849 -0.931007 0.321119
C 2.509849 1.535887 -0.146649
C 0.310487 2.676623 0.074092
C -1.875382 0.153109 -0.362212
C 4.638149 0.232386 -0.357527
C 3.291253 -2.152007 0.402523
C -3.334437 -0.130706 -0.144879
C 5.341976 -0.979862 -0.274707
C 4.663728 -2.173428 0.106740
C -4.199123 -0.169409 -1.272935
C -3.906050 -0.354833 1.137223
C -5.569101 -0.426175 -1.079198
C -6.040673 -0.633804 0.240641
H -1.101722 -0.776662 1.433661
H -1.252889 0.994404 1.529873
H 0.995815 3.468163 -0.265269
H -0.102343 2.959731 1.058280
H -0.499291 2.551882 -0.661379
H 5.129001 1.167034 -0.647432
H 2.748738 -3.055578 0.696158
H 6.412506 -1.010608 -0.503325
H 5.218930 -3.115898 0.168817
H -3.772855 0.001485 -2.266852
H -3.292658 -0.339927 2.045118
H -6.263725 -0.466606 -1.923582
H -7.100113 -0.835300 0.434961


