%chk=000117663.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117663

1 1
 O    6.653200      0.3978000     -7.3299997E-02
 O   -7.815700       1.072600      0.5760000    
 O   -6.207500       2.571900      0.6365000    
 N    1.287000     -0.7932000      0.1246000    
 N   -6.604200       1.389400      0.5057000    
 C    2.601900     -0.5064000      8.3400004E-02
 C    3.105200      0.2441000      -1.002300    
 C   0.4241000     -0.3992000     -0.8214000    
 C    2.212600      0.6621000      -1.998600    
 C   0.8631000      0.3385000      -1.908300    
 C    3.457700     -0.9436000       1.099200    
 C    4.476300      0.5422000      -1.041900    
 C   0.7478000      -1.575400       1.252800    
 C    5.325000      0.1025000     -2.3600001E-02
 C    4.816900     -0.6381000       1.043100    
 C  -0.9878000     -0.7441000     -0.7173000    
 C   -1.935200      2.4900001E-02 -0.1338000    
 C   -3.366400     -0.3146000     -4.5400001E-02
 C    7.333500      0.5387000       1.172600    
 C   -4.290000      0.6919000      0.1860000    
 C   -3.760300      -1.634400     -0.1951000    
 C   -5.644400      0.3697000      0.2697000    
 C   -5.114800      -1.956600     -0.1113000    
 C   -6.056900     -0.9545000      0.1211000    
 C    8.478700       1.513900       1.001700    
 H    2.562900       1.241300      -2.849700    
 H   0.1797000      0.6666000      -2.686300    
 H    3.121400      -1.520100       1.954500    
 H    4.888400       1.119100      -1.867500    
 H   0.8675000     -0.9796000       2.163100    
 H  -0.3002000      -1.854200       1.164300    
 H    1.304300      -2.516600       1.312400    
 H    5.451100      -1.019100       1.838300    
 H   -1.230100      -1.694000      -1.185000    
 H   -1.644700      0.9805000      0.2983000    
 H    6.675700      0.9389000       1.954400    
 H    7.721700     -0.4375000       1.483400    
 H   -3.947200       1.718000      0.2974000    
 H   -3.060900      -2.448700     -0.3547000    
 H   -5.435500      -2.988400     -0.2218000    
 H   -7.103100      -1.243300      0.1813000    
 H    9.030500       1.638200       1.937700    
 H    9.170500       1.164400      0.2281000    
 H    8.107500       2.491900      0.6776000    


%chk=000117663-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000117663

1 1
O 6.647941 0.966442 -0.010013
O -8.231126 0.818012 -0.679103
O -6.622009 2.433632 -0.805992
N 1.311795 -0.751723 0.691002
N -7.007120 1.212355 -0.660751
C 2.664318 -0.370394 0.530913
C 2.986904 0.761845 -0.310006
C 0.286514 -0.143757 -0.017936
C 1.912321 1.431447 -0.985224
C 0.610491 0.975857 -0.855028
C 3.725254 -1.065748 1.175003
C 4.334238 1.171883 -0.461259
C 1.002074 -1.808863 1.696540
C 5.373524 0.484560 0.194863
C 5.052037 -0.651422 1.009674
C -1.073683 -0.669232 0.054629
C -2.196173 0.083612 -0.214178
C -3.583461 -0.384151 -0.233359
C 7.806594 0.296094 0.657877
C -4.606361 0.585237 -0.429466
C -3.961491 -1.753504 -0.075224
C -5.949972 0.176464 -0.455537
C -5.314870 -2.136466 -0.107528
C -6.331794 -1.171464 -0.297418
C 9.051190 1.076921 0.257292
H 2.136288 2.286699 -1.630799
H -0.194400 1.438280 -1.428145
H 3.537428 -1.949131 1.788328
H 4.583057 2.028930 -1.094149
H 1.624833 -1.652979 2.589350
H -0.045573 -1.726656 2.011052
H 1.191955 -2.814430 1.283920
H 5.844092 -1.215234 1.509564
H -1.195688 -1.728091 0.303540
H -2.071578 1.158158 -0.408411
H 7.643599 0.318944 1.753360
H 7.854073 -0.754849 0.310986
H -4.374903 1.647649 -0.558333
H -3.198045 -2.526618 0.061702
H -5.587658 -3.189220 0.011176
H -7.390948 -1.441541 -0.327108
H 9.941568 0.620696 0.725505
H 9.190361 1.063683 -0.836327
H 8.983700 2.125573 0.590923


