%chk=000135865.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135865

0 1
 O    2.020300      -1.791700       1.361400    
 O   0.1587000      0.5110000      -2.283100    
 O   -5.505400      0.8004000      0.3971000    
 O    3.040000       2.617200      0.6012000    
 N    2.451100      0.4379000       1.036100    
 N    1.520700       1.588400     -0.7840000    
 C   0.5671000     -0.5838000     -0.1583000    
 C  -0.6594000     -0.2208000      0.6978000    
 C   -1.886000     -1.1800000E-02 -0.2095000    
 C   0.3109000      -1.919500     -0.8713000    
 C    1.748600     -0.7334000      0.7949000    
 C   0.7323000      0.5236000      -1.194200    
 C  -0.8906000      -1.304500       1.752000    
 C   -3.162200      0.3297000      0.5606000    
 C    1.534300      -2.366200      -1.639400    
 C   -4.351300      0.5004000     -0.3759000    
 C    2.370700       1.623000      0.3148000    
 H  -0.4730000      0.7217000       1.232000    
 H   -1.725200      0.8183000     -0.9031000    
 H   -2.104800     -0.9040000     -0.8029000    
 H  -0.5075000      -1.861400      -1.595600    
 H   6.7400001E-02  -2.730900     -0.1790000    
 H  -3.0099999E-02  -1.507400       2.390400    
 H   -1.260200      -2.244300       1.332800    
 H   -1.661700     -0.9686000       2.455800    
 H   -3.414200     -0.4582000       1.278700    
 H   -3.020100       1.244600       1.148800    
 H    1.854300      -1.627000      -2.380100    
 H    2.387700      -2.591500     -0.9942000    
 H    1.305500      -3.287400      -2.187600    
 H    3.155500      0.4024000       1.767700    
 H    1.539400       2.400900      -1.394100    
 H   -4.540800     -0.4183000     -0.9401000    
 H   -4.180300       1.321800      -1.078900    
 H   -6.245800      0.9041000     -0.2246000    


%chk=000135865-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000135865

0 1
O 2.122385 -1.880632 1.305560
O 0.202855 0.627762 -2.274507
O -5.407401 1.332948 0.333784
O 2.909351 2.674611 0.895071
N 2.381485 0.410513 1.167497
N 1.465221 1.638094 -0.626550
C 0.585812 -0.670075 -0.204827
C -0.728539 -0.350774 0.691158
C -2.023278 -0.342635 -0.171415
C 0.428667 -1.978597 -1.025576
C 1.757910 -0.797563 0.782550
C 0.742293 0.540451 -1.140874
C -0.869828 -1.315475 1.892549
C -3.147715 0.505593 0.468635
C 1.658118 -2.333703 -1.889576
C -4.422097 0.503736 -0.381042
C 2.286112 1.652652 0.515795
H -0.583314 0.675048 1.092706
H -1.812097 0.052703 -1.183031
H -2.375885 -1.385319 -0.303269
H -0.452295 -1.865831 -1.679417
H 0.229509 -2.803313 -0.319082
H -0.052770 -1.210818 2.625680
H -0.893622 -2.369905 1.566129
H -1.817572 -1.103241 2.418237
H -3.406814 0.131682 1.477164
H -2.811218 1.553956 0.588464
H 1.870459 -1.543644 -2.632104
H 2.556445 -2.496024 -1.268498
H 1.468766 -3.268139 -2.447614
H 3.068052 0.358982 1.927377
H 1.462943 2.499310 -1.182937
H -4.796493 -0.536414 -0.505286
H -4.208172 0.921074 -1.389323
H -6.241373 1.387686 -0.197229


