%chk=000058985.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058985

0 1
 O   -2.707500      -1.916100     -0.2749000    
 O   -4.133600       1.279900      0.5072000    
 N   -4.011600     -8.8200003E-02  0.1980000    
 C    2.273900     -0.4363000     -7.1699999E-02
 C   0.9675000      0.3350000      0.1340000    
 C    3.489700      0.4720000      0.1238000    
 C  -0.2502000     -0.5662000     -9.3800001E-02
 C    4.826300     -0.2415000     -0.1017000    
 C   -1.571200      0.1689000      0.1385000    
 C    6.079900      0.5960000      0.1622000    
 C    7.377200     -0.1424000     -0.1280000    
 C   -2.804300     -0.7176000     -4.6000001E-03
 C   -5.293300     -0.7653000      0.1154000    
 C   -4.242700       2.021800     -0.7043000    
 H    2.324200      -1.274500      0.6335000    
 H    2.295400     -0.8614000      -1.082400    
 H   0.9261000       1.185100     -0.5576000    
 H   0.9382000      0.7427000       1.151700    
 H    3.472400      0.8821000       1.141200    
 H    3.423700       1.325500     -0.5621000    
 H  -0.2295000     -0.9643000      -1.116100    
 H  -0.1927000      -1.430800      0.5795000    
 H    4.862600      -1.131600      0.5393000    
 H    4.856000     -0.6059000      -1.136500    
 H   -1.581100      0.5950000       1.148800    
 H   -1.641600      0.9946000     -0.5760000    
 H    6.081700      0.9235000       1.208500    
 H    6.043700       1.502200     -0.4540000    
 H    8.236700      0.5028000      7.8699999E-02
 H    7.425400     -0.4492000      -1.177600    
 H    7.464300      -1.037500      0.4959000    
 H   -5.835400     -0.6036000       1.051400    
 H   -5.163500      -1.837800     -4.9199998E-02
 H   -5.868600     -0.3434000     -0.7130000    
 H   -5.282000       2.012800      -1.046300    
 H   -3.959000       3.056900     -0.4955000    
 H   -3.594200       1.637100      -1.497500    


%chk=000058985-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058985

0 1
O -2.727868 -1.981098 -0.167331
O -4.092074 1.306750 0.405698
N -4.049494 -0.096867 0.012823
C 2.314340 -0.413251 -0.125341
C 0.980768 0.333189 0.102988
C 3.561447 0.462065 0.131492
C -0.255237 -0.564978 -0.121306
C 4.892593 -0.287276 -0.102456
C -1.577990 0.195316 0.092643
C 6.142262 0.580470 0.170651
C 7.466483 -0.178220 -0.064385
C -2.797333 -0.721189 -0.027283
C -5.315654 -0.816148 0.186861
C -4.453921 2.147488 -0.761556
H 2.350484 -1.304551 0.535412
H 2.344165 -0.799014 -1.165876
H 0.934529 1.212624 -0.574259
H 0.961314 0.736965 1.137517
H 3.533910 0.841616 1.174711
H 3.524766 1.357028 -0.525079
H -0.234103 -0.987350 -1.144615
H -0.220922 -1.433722 0.562648
H 4.925053 -1.187953 0.546111
H 4.926597 -0.658016 -1.148519
H -1.598430 0.668926 1.094536
H -1.666690 1.032588 -0.627183
H 6.106960 0.950221 1.215989
H 6.110040 1.480222 -0.477665
H 8.344157 0.463923 0.135494
H 7.538599 -0.534023 -1.109673
H 7.537731 -1.063598 0.595488
H -5.696511 -0.688521 1.216971
H -5.107757 -1.881620 0.000174
H -6.076116 -0.460339 -0.531219
H -5.458435 1.886024 -1.143289
H -4.458438 3.176072 -0.366812
H -3.706326 2.046546 -1.569560


