%chk=000133435.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133435

0 1
 O   -2.622700      -2.139600      0.7975000    
 O   0.6749000      -5.109200     -0.7254000    
 O   -6.352500       3.851700      -1.163500    
 N  -0.4993000     -3.8699999E-02  0.6257000    
 N    1.258700      -2.875100     -0.4390000    
 N    1.583300     -0.4677000     -4.4100001E-02
 N  -0.9882000      -3.645500      3.5100002E-02
 N   -3.620500       2.001300      0.4660000    
 C  -0.4561000      -1.374000      0.3436000    
 C   -1.640700      0.7103000       1.098300    
 C   0.7520000      0.4632000      0.3768000    
 C   0.8286000      -1.609800     -6.3600004E-02
 C    1.078800       1.891100      0.5729000    
 C   -2.467300       1.276200     -5.2700002E-02
 C   -1.474400      -2.370300      0.4282000    
 C   0.3485000      -3.961100     -0.4035000    
 C    2.521700       2.244900      0.2391000    
 C    2.636200      -3.085500     -0.8667000    
 C   -1.922100      -4.766100      7.2300002E-02
 C   -4.427600       2.540000     -0.6198000    
 C    2.832700       2.629900      -1.048700    
 C    3.473800       2.169400       1.234700    
 C   -5.604300       3.331700     -7.2300002E-02
 C    4.154600       2.953700      -1.354400    
 C    4.795700       2.493500      0.9291000    
 C    5.136000       2.885800     -0.3654000    
 H   -2.240900      5.7900000E-02   1.740900    
 H   -1.279600       1.514200       1.749400    
 H   0.8893000       2.180100       1.614800    
 H   0.4169000       2.518700     -3.7000000E-02
 H   -1.846300       1.938800     -0.6677000    
 H   -2.802300      0.4542000     -0.6976000    
 H   -3.305700       2.759100       1.071300    
 H    2.822400      -4.129700      -1.129900    
 H    3.308200      -2.801600     -5.0900001E-02
 H    2.835400      -2.459800      -1.742200    
 H   -2.917500      -4.468700      0.4099000    
 H   -1.525700      -5.531600      0.7470000    
 H   -1.994900      -5.196600     -0.9315000    
 H   -4.804700       1.729700      -1.256300    
 H   -3.828200       3.193200      -1.266800    
 H    2.074700       2.683300      -1.824200    
 H    3.217100       1.862800       2.244300    
 H   -5.266500       4.176000      0.5372000    
 H   -6.265400       2.707400      0.5380000    
 H    4.419900       3.258500      -2.362600    
 H    5.559900       2.439700       1.698800    
 H    6.165200       3.137700     -0.6037000    
 H   -6.679900       3.096800      -1.681700    


%chk=000133435-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000133435

0 1
O -2.586927 -1.884902 0.242283
O 0.246879 -5.643259 -0.050573
O -4.993615 4.130191 -2.276860
N -0.011161 -0.300227 1.067998
N 1.233312 -3.602746 0.560436
N 2.019671 -1.344937 1.196379
N -1.134416 -3.755268 0.108985
N -2.259647 2.410459 -0.302668
C -0.218983 -1.647212 0.721222
C -1.043029 0.759458 1.059933
C 1.346734 -0.162492 1.339338
C 1.044206 -2.253448 0.818298
C 2.010157 1.123491 1.749810
C -1.421216 1.199583 -0.376566
C -1.413203 -2.363016 0.355179
C 0.129921 -4.408331 0.193215
C 2.012996 2.210592 0.669821
C 2.575167 -4.205991 0.671935
C -2.268444 -4.626381 -0.276695
C -3.159436 2.650146 -1.450852
C 1.573803 3.524752 0.964980
C 2.472915 1.920813 -0.640437
C -4.142136 3.793214 -1.126398
C 1.590447 4.532326 -0.028007
C 2.490633 2.924320 -1.633811
C 2.047191 4.233978 -1.332132
H -1.947143 0.385525 1.565996
H -0.650628 1.620452 1.626293
H 3.047507 0.849314 2.013245
H 1.541731 1.520572 2.671187
H -0.491872 1.336508 -0.976590
H -2.010300 0.388761 -0.840107
H -1.697402 3.244311 -0.081565
H 2.481868 -5.272201 0.419852
H 2.959037 -4.088456 1.699168
H 3.272418 -3.708639 -0.022902
H -3.172344 -4.000270 -0.288987
H -2.375781 -5.449403 0.448422
H -2.087564 -5.065440 -1.271548
H -3.730019 1.717125 -1.631933
H -2.628253 2.899108 -2.400312
H 1.225450 3.764897 1.977936
H 2.817870 0.906842 -0.877081
H -3.594147 4.728177 -0.912973
H -4.740250 3.526112 -0.231397
H 1.253334 5.545933 0.216927
H 2.850306 2.687462 -2.641413
H 2.061125 5.012267 -2.102991
H -5.575558 3.356130 -2.484342


