%chk=000156878.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156878

0 1
 O   -1.070000      -2.353100      0.2909000    
 O  -0.9604000       2.235400     -0.4028000    
 O    5.072800     -0.2628000     -0.3594000    
 N  -0.5063000     -7.4600004E-02 -8.0100000E-02
 C   -2.704300     -0.6675000      0.1051000    
 C   -2.670900      0.6538000     -5.6699999E-02
 C   -3.941800      -1.467700      0.2875000    
 C   -3.868300       1.529700     -0.1233000    
 C   -5.149500     -0.5614000      0.5787000    
 C   -5.152100      0.7008000     -0.2955000    
 C   -1.326200      -1.174300      0.1085000    
 C   -1.270700       1.074300     -0.1929000    
 C   0.9239000     -0.1191000     -0.1488000    
 C    1.681500      0.9755000      0.2750000    
 C    1.568000      -1.256800     -0.6416000    
 C    3.074000      0.9329000      0.2065000    
 C    2.960500      -1.299400     -0.7101000    
 C    3.713600     -0.2045000     -0.2859000    
 C    3.864200       2.113500      0.6655000    
 C    5.761900     -0.7747000      0.7795000    
 H   -4.129400      -2.044700     -0.6258000    
 H   -3.822500      -2.183400       1.108400    
 H   -3.932100       2.114600      0.8019000    
 H   -3.783500       2.238800     -0.9541000    
 H   -6.076300      -1.125500      0.4235000    
 H   -5.133100     -0.2630000       1.635000    
 H   -6.023200       1.320700     -5.4600000E-02
 H   -5.254700      0.4050000      -1.347800    
 H    1.204500       1.858500      0.6906000    
 H    1.013900      -2.116000      -1.007000    
 H    3.452100      -2.186100      -1.101400    
 H    4.706300       2.311700     -6.0999999E-03
 H    3.253600       3.023000      0.6790000    
 H    4.244600       1.944600       1.677600    
 H    6.836300     -0.7109000      0.5863000    
 H    5.498200      -1.824400      0.9433000    
 H    5.532700     -0.1878000       1.674000    


%chk=000156878-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156878

0 1
O -1.009078 -2.400642 0.332992
O -0.886592 2.257767 -0.442676
O 5.152688 -0.283264 -0.450280
N -0.506826 -0.087107 -0.078261
C -2.778223 -0.683868 0.134367
C -2.742139 0.663182 -0.082784
C -4.028861 -1.488414 0.340626
C -3.948452 1.551675 -0.177514
C -5.226054 -0.537355 0.614579
C -5.226840 0.685055 -0.342030
C -1.372858 -1.213370 0.148654
C -1.311129 1.096290 -0.226184
C 0.928888 -0.141089 -0.152467
C 1.704346 0.935427 0.342384
C 1.565030 -1.265226 -0.734710
C 3.117215 0.915795 0.271433
C 2.971040 -1.303616 -0.795712
C 3.739871 -0.229128 -0.297715
C 3.937346 2.090143 0.770911
C 5.879846 -0.722542 0.753968
H -4.222108 -2.106127 -0.560508
H -3.888864 -2.208400 1.169094
H -4.017896 2.177236 0.736179
H -3.834419 2.264041 -1.016449
H -6.174777 -1.095623 0.513931
H -5.171807 -0.177299 1.661106
H -6.123036 1.305914 -0.159749
H -5.289624 0.325347 -1.388188
H 1.205253 1.812096 0.763609
H 0.972671 -2.097659 -1.120122
H 3.488803 -2.154869 -1.249073
H 4.886722 2.164823 0.214096
H 3.382049 3.036433 0.653899
H 4.186362 1.985950 1.845330
H 6.944573 -0.730353 0.473862
H 5.562130 -1.740077 1.055382
H 5.722048 -0.026044 1.600922


