%chk=000128960.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128960

0 1
 O    4.448700     -0.2938000      -2.667400    
 O    7.121100      -3.169000      0.4948000    
 O    4.989700      -2.957200       1.244900    
 O    7.444100       2.001500       2.889400    
 O    8.477600       1.911300      0.8717000    
 O   -6.111500     -0.5877000      -2.179400    
 N    4.466600     -0.9279000     -0.4366000    
 N   -4.880800       1.060600     -0.4762000    
 N   -5.449000      0.7807000       2.259100    
 N   -6.946700      -1.014000       1.706900    
 N   -7.281700      -1.706700     -0.5477000    
 N   -8.391600      -2.735800       1.243600    
 C   -1.868400       2.448200     -0.1076000    
 C   -1.608500       1.279900      -1.083200    
 C   -3.335800       2.897000     -2.3399999E-02
 C    5.837400      -1.370500     -0.3969000    
 C  -0.1894000      0.8408000      -1.212300    
 C    6.814100     -0.2419000     -4.4700000E-02
 C    2.465100      1.8500000E-02  -1.456500    
 C   -4.307000       1.846600      0.4532000    
 C   0.6355000       1.423400      -2.174700    
 C   0.3129000     -0.1529000     -0.3722000    
 C    6.631300      0.3922000       1.340100    
 C    3.878900     -0.4190000      -1.586600    
 C    1.962700       1.012100      -2.296700    
 C    1.640200     -0.5641000     -0.4943000    
 C    5.909100      -2.556600      0.5427000    
 C   -4.585800       1.709300       1.795300    
 C   -5.741100      0.1367000     -2.2000000E-03
 C   -6.035800     -1.8300001E-02   1.342500    
 C    7.610600       1.507900       1.634300    
 C   -6.392200     -0.7463000     -0.9954000    
 C   -7.520300      -1.804900      0.7357000    
 H   -1.259100       3.308900     -0.4113000    
 H   -1.520400       2.160300      0.8930000    
 H   -1.990500       1.556300      -2.075300    
 H   -2.209100      0.4121000     -0.7819000    
 H   -3.404400       3.774100      0.6327000    
 H   -3.659000       3.241700      -1.014300    
 H    6.086900      -1.749000      -1.396500    
 H    6.731900      0.5481000     -0.8030000    
 H    7.841200     -0.6228000     -0.1177000    
 H    3.958400     -0.9255000      0.4417000    
 H    6.760500     -0.3735000       2.113100    
 H    5.622000      0.8101000       1.424100    
 H   0.2566000       2.200600      -2.833200    
 H  -0.3213000     -0.6175000      0.3782000    
 H    2.590900       1.481600      -3.049100    
 H    1.982100      -1.361600      0.1585000    
 H   -4.127000       2.336200       2.551000    
 H   -7.161100      -1.126000       2.689800    
 H    7.161300      -3.946600       1.091400    
 H    8.088800       2.712900       3.090700    
 H   -8.569800      -2.805700       2.239500    
 H   -8.881800      -3.382400      0.6353000    


%chk=000128960-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128960

0 1
O 4.710554 0.877165 -2.055809
O 6.563769 -3.497794 -0.318050
O 4.259667 -3.534069 -0.036011
O 5.973283 0.022504 4.088425
O 7.470945 0.871108 2.530974
O -2.188397 -1.279805 1.170940
N 4.016426 -0.907788 -0.757316
N -3.618957 1.059996 0.319645
N -6.443659 1.039281 0.671693
N -6.267559 -1.073043 1.718640
N -4.162623 -2.222050 2.008772
N -6.138677 -3.173337 2.799026
C -2.162354 3.120628 -0.900565
C -1.785444 2.119154 -2.031981
C -3.686967 3.306314 -0.737766
C 5.386352 -1.418051 -0.648877
C -0.355757 1.617547 -1.901190
C 6.255490 -0.635454 0.383612
C 2.325217 0.682816 -1.591635
C -4.381856 2.108755 -0.103816
C 0.692921 2.140506 -2.700497
C -0.044560 0.622697 -0.933800
C 5.679540 -0.686777 1.808724
C 3.757781 0.242110 -1.492597
C 2.017105 1.684740 -2.546105
C 1.278253 0.160730 -0.783886
C 5.305532 -2.900667 -0.309189
C -5.799666 2.075196 0.072450
C -4.237148 -0.000612 0.910736
C -5.650855 0.010815 1.090758
C 6.483127 0.148498 2.784433
C -3.432301 -1.197202 1.362339
C -5.481672 -2.144102 2.164298
H -1.690617 4.100831 -1.104322
H -1.746362 2.747767 0.051723
H -1.939605 2.603450 -3.016069
H -2.471204 1.254776 -1.973847
H -3.888523 4.196991 -0.107558
H -4.157873 3.520085 -1.719728
H 5.889099 -1.305031 -1.630253
H 6.312497 0.408052 0.031365
H 7.279684 -1.046359 0.364942
H 3.264285 -1.524446 -0.437818
H 5.637093 -1.719484 2.206777
H 4.636509 -0.315006 1.822126
H 0.466925 2.908447 -3.450837
H -0.839525 0.209364 -0.299629
H 2.836083 2.085628 -3.152443
H 1.475803 -0.594598 -0.013278
H -6.428582 2.902782 -0.273261
H -7.285292 -1.034193 1.825183
H 6.476750 -4.463038 -0.090558
H 6.512499 0.590897 4.703168
H -7.140273 -3.184279 2.972857
H -5.559784 -3.950047 3.111988


