%chk=000093660.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093660

0 1
 O   -4.547000       2.067700       1.288000    
 O   -1.614000      -1.217100       2.187200    
 O   -2.491600       2.830100       1.174400    
 O   0.3795000     -0.2986000       2.224300    
 N    3.565300       1.826600     -0.6847000    
 N  -0.7822000       1.871400     -0.3585000    
 N    2.257500      -1.097900      0.8014000    
 N   -3.389700       2.036300      0.8083000    
 N  -0.4279000      -1.152100       1.787900    
 C    2.820200       3.062100     -0.8934000    
 C    3.678200       1.527600      0.7441000    
 C    1.398800       2.976100     -0.3287000    
 C    4.339900      0.1689000      0.9943000    
 C   0.5524000       1.842300     -0.9064000    
 C    3.624400      -1.016000      0.3463000    
 C    4.895000       1.917600      -1.290400    
 C   -1.792500       1.004800     -0.7455000    
 C    1.345600      -2.032300      0.3356000    
 C   -3.084500       1.065200     -0.1862000    
 C   1.7899999E-02  -2.080000      0.8053000    
 C   -1.539600      2.6699999E-02  -1.726500    
 C    1.738900      -2.971300     -0.6373000    
 C   -4.084000      0.1814000     -0.5933000    
 C  -0.8807000      -3.030300      0.3200000    
 C   -2.539200     -0.8571000      -2.133200    
 C   0.8403000      -3.921400      -1.122400    
 C   -3.811400     -0.7798000      -1.566700    
 C  -0.4695000      -3.951000     -0.6437000    
 H    3.335100       3.919400     -0.4404000    
 H    2.743400       3.267900      -1.968800    
 H    4.256100       2.305200       1.261600    
 H    2.705000       1.492800       1.238300    
 H    1.390700       2.947100      0.7666000    
 H   0.8997000       3.925100     -0.5725000    
 H    5.391800      0.1750000      0.6876000    
 H    4.359600      8.8000000E-03   2.081300    
 H   0.5149000       1.963700      -1.995800    
 H    1.019800      0.8793000     -0.6874000    
 H    3.664600     -0.9097000     -0.7437000    
 H    4.163200      -1.932600      0.6147000    
 H    4.814600       2.233300      -2.337700    
 H    5.398600      0.9470000      -1.322700    
 H    5.540800       2.637100     -0.7739000    
 H  -0.9690000       2.552000      0.3652000    
 H    2.003100     -0.5399000       1.605100    
 H  -0.5647000     -7.7000000E-02  -2.194900    
 H    2.748100      -2.991800      -1.039500    
 H   -5.087500      0.2081000     -0.1763000    
 H   -1.909600      -3.085800      0.6659000    
 H   -2.326800      -1.607100      -2.889400    
 H    1.159800      -4.638800      -1.872600    
 H   -4.588800      -1.469100      -1.882900    
 H   -1.169200      -4.690300      -1.022500    


%chk=000093660-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093660

0 1
O -4.759106 1.431063 1.131710
O -1.490747 -0.625561 2.498586
O -2.727686 2.452614 1.251030
O 0.684620 0.047544 2.437276
N 3.629344 1.888693 -0.556304
N -0.795740 1.730686 -0.373280
N 2.358647 -1.107549 0.800369
N -3.544313 1.574252 0.711864
N -0.288909 -0.756277 2.043589
C 2.789516 3.117358 -0.480198
C 4.048146 1.405616 0.782986
C 1.353940 2.867572 0.030282
C 4.592893 -0.043991 0.782373
C 0.576534 1.890191 -0.870273
C 3.658019 -1.076773 0.120905
C 4.778168 2.068706 -1.472267
C -1.723080 0.876139 -0.913531
C 1.308883 -1.919582 0.456503
C -3.070788 0.758151 -0.396370
C 0.002019 -1.793089 1.070451
C -1.393823 0.041488 -2.036891
C 1.453165 -2.942480 -0.542129
C -4.002327 -0.148536 -0.967805
C -1.063162 -2.666058 0.722021
C -2.325623 -0.843302 -2.588117
C 0.392274 -3.793198 -0.870647
C -3.642255 -0.950298 -2.056722
C -0.876499 -3.667577 -0.235555
H 3.269558 3.900614 0.159356
H 2.730842 3.537517 -1.503178
H 4.831258 2.072065 1.229092
H 3.174348 1.469121 1.456413
H 1.355801 2.480300 1.067177
H 0.831005 3.844421 0.060449
H 5.566843 -0.086463 0.260397
H 4.788237 -0.336642 1.832676
H 0.565860 2.273143 -1.914245
H 1.108063 0.919214 -0.886967
H 3.515456 -0.810269 -0.946663
H 4.137104 -2.077124 0.161173
H 4.413958 2.382810 -2.466062
H 5.320492 1.115925 -1.601573
H 5.512047 2.833422 -1.112395
H -1.135421 2.285924 0.429396
H 2.133150 -0.418073 1.536377
H -0.387752 0.100150 -2.460245
H 2.418884 -3.060868 -1.040849
H -5.002509 -0.187919 -0.527953
H -2.025604 -2.517538 1.219058
H -2.031422 -1.463877 -3.442237
H 0.545557 -4.569981 -1.628573
H -4.365274 -1.644084 -2.495621
H -1.699190 -4.337991 -0.499357


