%chk=000034865.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000034865

0 1
 O   -4.168800      -1.702000      0.1529000    
 O   3.4000002E-02   1.911100       1.824300    
 N   -2.255600      0.3847000     -0.1429000    
 N    1.743900      0.3680000      -2.046800    
 C   -2.261600     -0.4911000       1.037000    
 C   -3.615500      0.5063000     -0.6865000    
 C   -1.710100       1.699200      0.1894000    
 C   -2.845500      -1.852000      0.6685000    
 C   -4.168500     -0.8779000      -1.013500    
 C  -0.2812000       1.541900      0.6921000    
 C   0.7220000      0.9362000     -0.2042000    
 C    1.842300      0.1893000      0.1747000    
 C    2.482700     -0.1649000      -1.014600    
 C   0.6616000       1.045200      -1.552400    
 C    2.399200     -0.2354000       1.397300    
 C    3.656900     -0.9257000      -1.042600    
 C    3.573400     -0.9971000       1.384900    
 C    4.190900      -1.335800      0.1825000    
 H   -2.863300     -4.3699998E-02   1.839100    
 H   -1.253300     -0.6631000       1.427300    
 H   -3.606400       1.110800      -1.600600    
 H   -4.273300      0.9993000      4.1200001E-02
 H   -1.699700       2.364700     -0.6813000    
 H   -2.300500       2.196100      0.9699000    
 H   -2.222100      -2.374100     -6.7599997E-02
 H   -2.906500      -2.485200       1.559400    
 H   -5.203100     -0.7934000      -1.361400    
 H   -3.590700      -1.367100      -1.807200    
 H  -2.8100001E-02   1.532700      -2.227100    
 H    1.969200      0.2733000      -3.027500    
 H    1.931700      1.5300000E-02   2.345100    
 H    4.138300      -1.190000      -1.978200    
 H    4.007000      -1.328200       2.324800    
 H    5.102200      -1.928400      0.1959000    


%chk=000034865-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000034865

0 1
O -4.638153 -1.417082 -0.476940
O 0.223984 1.577167 2.137980
N -2.399374 0.395175 -0.067515
N 1.479934 -0.695781 -1.725944
C -2.629964 -0.766494 0.836334
C -3.697076 0.878615 -0.615152
C -1.649217 1.482224 0.607101
C -3.355160 -1.885813 0.074242
C -4.407065 -0.263578 -1.360302
C -0.196284 1.144226 1.014980
C 0.686324 0.419340 0.098129
C 2.105829 0.134947 0.313329
C 2.577007 -0.564398 -0.848383
C 0.355112 -0.112365 -1.163847
C 3.013948 0.409274 1.367372
C 3.910814 -0.998699 -0.992168
C 4.350118 -0.021549 1.233075
C 4.794519 -0.716490 0.070810
H -3.237608 -0.467437 1.725722
H -1.655019 -1.139304 1.200908
H -3.504248 1.714380 -1.315125
H -4.366600 1.256620 0.197171
H -1.602409 2.345334 -0.088455
H -2.151818 1.835075 1.539192
H -2.706876 -2.256049 -0.750326
H -3.610829 -2.722138 0.745042
H -5.406255 0.048455 -1.706514
H -3.792605 -0.576987 -2.233362
H -0.623512 -0.116253 -1.639511
H 1.508863 -1.158253 -2.632942
H 2.665305 0.943866 2.254316
H 4.254144 -1.531559 -1.885827
H 5.065551 0.180858 2.037814
H 5.840119 -1.036326 0.000695


