%chk=000042443.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042443

0 1
 O  -1.0200000E-02   1.201000      0.5742000    
 O    2.697100       1.349000      0.6042000    
 N   -4.665900     -0.2544000      0.1609000    
 C   -1.403400       1.236000      0.2018000    
 C   0.6952000      7.2899997E-02  0.2559000    
 C   8.0799997E-02  -1.143300     -5.1899999E-02
 C   -2.084200     -0.1116000      8.9599997E-02
 C   -1.372300      -1.239400     -3.2099999E-02
 C    2.087700      0.1712000      0.2910000    
 C   -1.520300       2.041800      -1.092500    
 C   0.8727000      -2.261100     -0.3375000    
 C    2.871300     -0.9444000     -6.0000003E-04
 C    2.264600      -2.158900     -0.3161000    
 C   -3.508100     -0.1902000      0.1289000    
 C    2.995100       2.231400     -0.4758000    
 H   -1.896100       1.801700       1.002700    
 H   -1.834900      -2.217100     -0.1184000    
 H   -1.010400       1.536200      -1.920600    
 H   -2.564500       2.205600      -1.377000    
 H   -1.036400       3.018200     -0.9772000    
 H   0.4175000      -3.219600     -0.5755000    
 H    3.955600     -0.8756000      2.0099999E-02
 H    2.875500      -3.028700     -0.5397000    
 H    2.079600       2.522600      -1.000500    
 H    3.694400       1.760200      -1.173700    
 H    3.463300       3.130000     -6.4900003E-02


%chk=000042443-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000042443

0 1
O 0.122870 1.202673 0.476953
O 3.065711 1.170132 0.304321
N -4.625695 0.135516 0.529893
C -1.285363 1.320327 -0.008254
C 0.823416 0.037132 0.109871
C 0.120494 -1.191424 -0.091787
C -2.027505 -0.008582 0.173660
C -1.327717 -1.187167 0.068910
C 2.244846 0.064143 0.061996
C -1.308731 1.796615 -1.472530
C 0.842556 -2.387653 -0.343672
C 2.938324 -1.146261 -0.194497
C 2.249332 -2.361537 -0.394922
C -3.440636 0.044520 0.370367
C 2.600913 2.534994 -0.010774
H -1.709379 2.093786 0.653297
H -1.850257 -2.147790 0.134156
H -0.857732 1.042202 -2.140589
H -2.352137 1.962815 -1.796214
H -0.756417 2.746808 -1.575067
H 0.293007 -3.324021 -0.490683
H 4.030949 -1.097442 -0.231516
H 2.814345 -3.277760 -0.591469
H 1.811730 2.858792 0.685084
H 2.226227 2.592988 -1.050121
H 3.500548 3.159691 0.098888


