%chk=000060568.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000060568

0 1
 O   -5.687600      0.6573000      0.9343000    
 O    2.843800      -2.010200     -0.1638000    
 O    4.262500      0.3380000      0.2827000    
 N   -2.065600      0.4898000      0.2774000    
 C   -3.487300      0.5463000     -6.3100003E-02
 C   -3.885900     -0.6234000     -0.9826000    
 C   -1.246500      0.5432000     -0.9232000    
 C   -4.302500      0.5349000       1.234300    
 C   0.2234000      0.4849000     -0.6023000    
 C   -3.654400      -1.995800     -0.3618000    
 C   0.8588000     -0.7468000     -0.5307000    
 C   0.9217000       1.663800     -0.3815000    
 C    2.220300     -0.8008000     -0.2326000    
 C    2.283200       1.609800     -8.3300002E-02
 C    2.932500      0.3775000     -8.8999998E-03
 C    2.867300      -2.655700       1.107700    
 C    4.916400       1.587300      0.4975000    
 H   -3.707000       1.481100     -0.5962000    
 H   -4.955700     -0.5399000      -1.215900    
 H   -3.396700     -0.5665000      -1.960100    
 H   -1.834000       1.275000      0.8859000    
 H   -1.453200       1.458100      -1.494300    
 H   -1.437100     -0.2930000      -1.602900    
 H   -4.153500     -0.3741000       1.824600    
 H   -4.028300       1.382600       1.873000    
 H   -2.609400      -2.147800     -7.6600000E-02
 H   -3.911200      -2.773500      -1.089400    
 H   -4.285200      -2.160700      0.5159000    
 H   0.3072000      -1.667600     -0.7026000    
 H   0.4238000       2.628000     -0.4356000    
 H    2.771600       2.564500      7.8900002E-02
 H   -5.810600       1.491000      0.4491000    
 H    3.390200      -2.037600       1.844400    
 H    3.404000      -3.602400       1.001600    
 H    1.848900      -2.866900       1.449200    
 H    5.966500       1.367600      0.7172000    
 H    4.511700       2.109700       1.371100    
 H    4.903800       2.209600     -0.4037000    


%chk=000060568-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000060568

0 1
O -5.829297 0.157686 1.299686
O 2.368856 -2.017127 0.705049
O 4.260309 0.076269 0.324373
N -2.216537 0.292029 0.247409
C -3.676864 0.412686 0.043843
C -4.164781 -0.356933 -1.213409
C -1.353749 0.857113 -0.813702
C -4.380202 -0.081103 1.330793
C 0.122301 0.697099 -0.475324
C -3.728215 -1.835975 -1.274370
C 0.614517 -0.537396 0.017119
C 1.034252 1.758842 -0.664751
C 1.981119 -0.726629 0.301326
C 2.412020 1.586895 -0.394710
C 2.901095 0.346468 0.075393
C 3.205875 -2.140935 1.915759
C 5.224117 1.133985 0.012402
H -3.981505 1.488375 -0.102494
H -5.270247 -0.290709 -1.222126
H -3.812955 0.170376 -2.122101
H -1.926528 0.630491 1.175473
H -1.568012 1.936978 -1.015884
H -1.577513 0.315888 -1.754443
H -4.272920 -1.170883 1.441930
H -3.921513 0.408606 2.219886
H -2.630924 -1.929103 -1.197432
H -4.054531 -2.297160 -2.224433
H -4.170699 -2.425024 -0.451040
H -0.071475 -1.371811 0.191730
H 0.675676 2.728317 -1.030479
H 3.098210 2.422719 -0.562537
H -5.987204 1.131042 1.200660
H 4.190215 -1.667784 1.768822
H 3.314602 -3.225130 2.072355
H 2.694327 -1.686753 2.787025
H 6.209213 0.699152 0.237392
H 5.059658 2.030537 0.641536
H 5.175208 1.416199 -1.057028


