%chk=000042585.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042585

0 1
 O    2.232100     -0.9634000     -0.5200000    
 O   -4.654400      -1.027900     -0.2299000    
 O   -2.910900      -2.242800      0.3371000    
 O    2.588100      -2.907600      0.6759000    
 N    1.691500       1.115900      0.3349000    
 N   -1.239500      4.9000001E-03  0.1083000    
 N   -1.799100       2.074300     -0.4434000    
 N   0.8152000       3.058700     -0.2684000    
 N   -3.418300      -1.133900      7.4999998E-03
 C    1.880200     -0.2796000      0.6770000    
 C   0.6992000     -0.9448000       1.378500    
 C  -0.4924000      -1.182600      0.4605000    
 C  -0.7905000       1.284100     -0.1139000    
 C   0.5451000       1.787900     -1.7400000E-02
 C   -2.596400     -3.7000000E-03 -9.7099997E-02
 C    2.728400       2.016900      0.3018000    
 C   -2.916300       1.285700     -0.4343000    
 C    2.160300       3.206100     -7.3200002E-02
 C    2.566500      -2.280500     -0.3745000    
 C    2.911100      -2.867700      -1.709500    
 H    2.740400     -0.3050000       1.360600    
 H   0.3896000     -0.3164000       2.225900    
 H   0.9832000      -1.898400       1.831800    
 H  -0.2435000      -1.719500     -0.4590000    
 H   -1.094700      -1.815700       1.104900    
 H    3.746400       1.738100      0.5366000    
 H   -3.887700       1.692500     -0.6773000    
 H    2.650100       4.158400     -0.2134000    
 H    3.766200      -2.338600      -2.137500    
 H    2.046500      -2.805300      -2.375100    
 H    3.179600      -3.920600      -1.584500    


%chk=000042585-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042585

0 1
O 1.992536 -1.530100 -0.289839
O -5.134585 -0.355256 -0.072353
O -3.625598 -1.969791 0.532241
O 4.263237 -1.308985 0.225194
N 1.601793 0.762072 0.389291
N -1.496878 0.006355 0.142745
N -1.838595 2.215765 -0.361903
N 0.978484 2.784125 -0.452856
N -3.922377 -0.752332 0.158319
C 1.647287 -0.622366 0.856799
C 0.330789 -1.150295 1.424423
C -0.801266 -1.280704 0.392180
C -0.897878 1.248867 -0.087009
C 0.522647 1.564081 -0.066140
C -2.885998 0.217100 -0.005774
C 2.764948 1.539006 0.261970
C -3.053804 1.581620 -0.315250
C 2.356541 2.767618 -0.255758
C 3.368873 -1.785844 -0.504730
C 3.553467 -2.669109 -1.712769
H 2.466346 -0.700633 1.592080
H 0.013710 -0.523087 2.277786
H 0.540108 -2.158918 1.820894
H -0.399991 -1.664475 -0.562838
H -1.565468 -1.985967 0.745742
H 3.738186 1.137815 0.534535
H -3.991538 2.102188 -0.489626
H 2.966513 3.635815 -0.492714
H 3.386928 -2.075344 -2.629970
H 2.819885 -3.491374 -1.714127
H 4.577698 -3.068344 -1.727643


