%chk=000125984.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125984

0 1
 O    3.797600       1.404100      0.2005000    
 O    6.501800       2.161700      9.0999998E-02
 N    5.855300      -1.483600      0.1148000    
 N   -2.444100      0.7374000      7.7600002E-02
 N   -3.235100      -1.904000     -0.1550000    
 N  -0.9613000      -2.580800     -0.1883000    
 N   -5.457900      -1.256500     -0.1231000    
 N   -6.066500       1.055100      6.6600002E-02
 N   -4.376200       2.698500      0.2237000    
 N   -7.711800     -0.6031000     -9.0700001E-02
 C    6.055000      0.9189000     -0.4586000    
 C    6.228900     -0.1650000      0.6080000    
 C    4.609700       1.081400     -0.9242000    
 C    2.490700      0.9984000      0.1523000    
 C    6.087200      -2.503700       1.139700    
 C    6.600600      -1.810500      -1.102800    
 C  -0.1640000      0.1742000      5.4200001E-02
 C   -1.544600     -0.2541000      3.1999999E-03
 C    1.845600      0.8961000      -1.075700    
 C    1.820200      0.6922000       1.331700    
 C   0.5143000      0.4829000      -1.124800    
 C   0.4889000      0.2789000       1.282400    
 C   -1.933800      -1.558900     -0.1117000    
 C   -3.744800      0.3907000      3.4499999E-02
 C   -4.158400     -0.9379000     -8.2599998E-02
 C   -4.751100       1.335000      0.1040000    
 C   -6.346400     -0.2479000     -4.6700001E-02
 H    6.702200      0.7463000      -1.323100    
 H    5.631300      9.0700001E-02   1.492800    
 H    7.273300     -0.1526000      0.9512000    
 H    4.288900      0.1577000      -1.420100    
 H    4.549100       1.914700      -1.634400    
 H    5.511400      -2.277100       2.044000    
 H    7.145500      -2.581900       1.414100    
 H    5.746800      -3.485000      0.7906000    
 H    6.261000      -1.228600      -1.964900    
 H    6.425400      -2.856000      -1.385200    
 H    7.681800      -1.678600     -0.9794000    
 H    5.917400       2.382500      0.8364000    
 H    2.327200       1.155900      -2.013400    
 H    2.325500      0.7717000       2.290000    
 H   1.7000001E-02  0.4131000      -2.089500    
 H  -2.5699999E-02  4.1900001E-02   2.210600    
 H   -1.305600      -3.529000     -0.2787000    
 H  -7.3799998E-02  -2.448600      0.2803000    
 H   -5.124300       3.378000      0.2831000    
 H   -3.491200       2.914900      0.6657000    
 H   -8.415700      0.1201000     -3.5900000E-02
 H   -7.969800      -1.576600     -0.1752000    


%chk=000125984-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000125984

0 1
O 3.729409 0.824067 -0.087047
O 6.008123 2.349214 -0.528562
N 6.813273 -1.296095 0.140952
N -2.683608 0.640058 0.343221
N -3.842471 -1.806445 -0.563671
N -1.730032 -2.706833 -0.880515
N -6.014485 -0.931335 -0.175749
N -6.272155 1.336047 0.793697
N -4.382140 2.656450 1.277102
N -8.106862 -0.006162 0.276698
C 6.023972 0.901710 -0.781478
C 6.580614 0.136322 0.446019
C 4.631483 0.403063 -1.184542
C 2.371313 0.493006 -0.175302
C 6.645376 -2.181210 1.312670
C 8.095980 -1.537056 -0.552494
C -0.419520 -0.096741 -0.150505
C -1.883880 -0.347255 -0.120407
C 1.795954 -0.245858 -1.237338
C 1.554769 0.951397 0.890266
C 0.413282 -0.533524 -1.215914
C 0.181799 0.662831 0.894951
C -2.499812 -1.614050 -0.533757
C -4.039557 0.442102 0.346124
C -4.650194 -0.771591 -0.141999
C -4.927133 1.490701 0.814508
C -6.738488 0.126358 0.293816
H 6.702061 0.774750 -1.644049
H 5.839870 0.208616 1.263798
H 7.504869 0.660946 0.784928
H 4.643507 -0.700046 -1.272492
H 4.300486 0.876367 -2.128892
H 5.643023 -2.033532 1.751513
H 7.405847 -2.008583 2.115059
H 6.726226 -3.236398 0.993417
H 8.168619 -0.909479 -1.457690
H 8.155483 -2.593774 -0.869560
H 8.985924 -1.315523 0.088812
H 5.224893 2.533350 0.053683
H 2.401514 -0.586116 -2.082076
H 2.016542 1.525726 1.699529
H -0.024576 -1.056801 -2.073662
H -0.453344 1.021853 1.710753
H -2.226714 -3.570134 -1.096846
H -0.720504 -2.707195 -0.761799
H -4.990171 3.407497 1.593714
H -3.367455 2.753861 1.252359
H -8.684215 0.757526 0.616823
H -8.509395 -0.869079 -0.079064


