%chk=000035595.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035595

0 1
 O   -1.596100      0.4931000      -1.012500    
 O   -1.917700      -2.441000       1.031600    
 O   -4.012100      -1.282200     -0.2798000    
 O   -2.234000       3.127300     -0.3009000    
 O   0.8508000       1.592800      0.2588000    
 O    3.853300       1.632500      0.5545000    
 N    1.207900      -1.767000     -0.6011000    
 N    2.513800      -1.507000     -0.4185000    
 N    4.933600     -0.3241000      0.1068000    
 C   -1.833700      -1.056200      0.7612000    
 C   -3.187300     -0.4209000      0.5048000    
 C   -1.099500     -0.7761000     -0.5415000    
 C   -2.821700      0.8122000     -0.3147000    
 C   0.3997000     -0.6914000     -0.3867000    
 C   -2.575500       2.043600      0.5455000    
 C    1.229700      0.3437000     -3.9500002E-02
 C    2.520900     -0.2161000     -7.5499997E-02
 C    3.768100      0.4368000      0.2074000    
 H   -1.347900     -0.5591000       1.610000    
 H   -3.738400     -0.1917000       1.421800    
 H   -1.342000      -1.528000      -1.303600    
 H   -3.571800       1.035600      -1.081900    
 H   -1.746600       1.889000       1.242700    
 H   -3.474500       2.310200       1.110000    
 H   -1.010600      -2.778800       1.121400    
 H   -4.125500      -2.107400      0.2221000    
 H   0.9399000      -2.705000     -0.8720000    
 H   -2.085200       3.900700      0.2694000    
 H    1.627100       2.139200      0.4722000    
 H    4.917400      -1.302700     -0.1625000    
 H    5.841400      8.4399998E-02  0.3030000    


%chk=000035595-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035595

0 1
O -1.611617 0.492676 -1.072014
O -1.430036 -1.389620 2.093871
O -3.738897 -1.297923 0.803411
O -3.594573 2.425636 -2.034720
O 1.362491 -1.507190 1.747696
O 4.026473 -1.372368 1.729704
N 1.195555 0.245314 -1.363598
N 2.567601 0.245072 -1.225958
N 5.192301 -0.331054 -0.014452
C -1.535390 -0.267248 1.180855
C -3.033134 -0.020550 0.856769
C -0.962304 -0.534140 -0.237362
C -3.024676 0.603467 -0.568283
C 0.517850 -0.380041 -0.325815
C -3.448421 2.065722 -0.619511
C 1.519166 -0.825820 0.546437
C 2.760077 -0.430650 -0.039377
C 4.041601 -0.734910 0.604964
H -1.069477 0.649169 1.596106
H -3.503448 0.644604 1.608523
H -1.284996 -1.550356 -0.553989
H -3.681671 -0.001581 -1.219860
H -2.684713 2.696159 -0.115671
H -4.417283 2.166933 -0.083550
H -0.460559 -1.607257 2.229906
H -3.299783 -1.884144 1.481720
H 0.753464 0.725410 -2.147435
H -3.822454 3.385943 -2.109507
H 2.316499 -1.660403 2.090281
H 5.140470 0.168502 -0.902548
H 6.093384 -0.532954 0.415906


