%chk=000116299.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116299

0 1
 O   -4.482400     -0.9773000       1.208000    
 O   -1.390800      0.8217000      -2.199000    
 O  -0.3202000       2.233800      0.6635000    
 O    3.121700      -1.838800     -0.7431000    
 O    3.949100      0.1594000       1.002900    
 N   -2.254900     -0.4378000     -0.4307000    
 C   -2.088200      -1.149200      0.8426000    
 C   -3.598600     -0.5263000     -0.9998000    
 C   -3.202500     -0.7671000       1.809500    
 C   -4.642900     -0.1605000      4.4900000E-02
 C   -1.247200      0.2266000      -1.132000    
 C   0.1090000      0.2202000     -0.5675000    
 C   0.5218000       1.223000      0.3076000    
 C   0.9830000     -0.8067000     -0.9190000    
 C    2.274700     -0.8308000     -0.3932000    
 C    1.813600       1.198800      0.8333000    
 C    2.690100      0.1719000      0.4830000    
 C  -0.3084000       3.403800     -0.1517000    
 C    3.111500      -3.007200      7.4699998E-02
 C    4.961400      0.8423000      0.2660000    
 H   -1.114900     -0.9577000       1.298100    
 H   -2.146800      -2.218100      0.6059000    
 H   -3.732100      -1.566700      -1.319000    
 H   -3.697100      0.1144000      -1.881200    
 H   -3.147600      -1.387700       2.709200    
 H   -3.117400      0.2813000       2.119700    
 H   -4.570300      0.8955000      0.3314000    
 H   -5.648300     -0.3328000     -0.3512000    
 H   0.6631000      -1.590200      -1.602100    
 H    2.136900       1.979400       1.517700    
 H  -0.5072000       3.160800      -1.199400    
 H   0.6556000       3.914900     -6.4599998E-02
 H   -1.093000       4.076600      0.2050000    
 H    2.122700      -3.476600      6.0300000E-02
 H    3.395600      -2.760600       1.102600    
 H    3.840600      -3.714800     -0.3295000    
 H    4.722800       1.907300      0.1832000    
 H    5.074900      0.4038000     -0.7305000    
 H    5.907200      0.7365000      0.8043000    


%chk=000116299-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116299

0 1
O -4.686446 -0.203382 1.201882
O -1.367765 0.206322 -2.460307
O -0.564096 1.732895 1.070088
O 3.404947 -1.695861 -1.056037
O 4.011805 0.151901 1.140118
N -2.344736 -0.451798 -0.451900
C -2.316878 -0.913420 0.952810
C -3.693114 -0.495579 -1.061532
C -3.334657 -0.106304 1.783198
C -4.680884 0.297449 -0.184173
C -1.252761 -0.070841 -1.219457
C 0.104083 -0.017788 -0.550717
C 0.422094 0.880722 0.504802
C 1.132485 -0.846748 -1.059179
C 2.428593 -0.830113 -0.508591
C 1.724224 0.929712 1.043729
C 2.735550 0.084424 0.542989
C -0.921019 2.895894 0.226459
C 3.888453 -2.738500 -0.119677
C 5.117177 0.531718 0.225757
H -1.307110 -0.800884 1.373244
H -2.595679 -1.987291 0.978926
H -4.025762 -1.550629 -1.132863
H -3.621246 -0.076773 -2.079276
H -3.425058 -0.515538 2.802619
H -3.009319 0.952873 1.830772
H -4.410608 1.376004 -0.193477
H -5.714996 0.174166 -0.545573
H 0.926571 -1.529706 -1.888964
H 1.957414 1.634011 1.847026
H -1.282270 2.577560 -0.769165
H -0.045165 3.561502 0.104854
H -1.720112 3.422787 0.770066
H 3.057985 -3.415879 0.155715
H 4.319629 -2.284285 0.790908
H 4.657969 -3.296225 -0.674521
H 4.969844 1.568770 -0.129813
H 5.174232 -0.156112 -0.636214
H 6.031124 0.470046 0.835375


