%chk=000085986.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085986

0 1
 O   0.3561000      3.5399999E-02  0.5653000    
 O   -5.873800       1.458200      0.3817000    
 O    6.405100       1.610900      0.8739000    
 O    6.535200     -1.7700000E-02 -0.5987000    
 N   -1.300600      -1.654700      0.4994000    
 N    5.873600      0.7170000      0.1731000    
 C   -1.348000      7.0100002E-02  -1.229200    
 C  -0.3818000     -0.8367000     -0.3302000    
 C   -2.591700      7.0100002E-02 -0.3617000    
 C   -2.506900     -0.9595000      0.5850000    
 C   -1.729400     -0.5613000      -2.584900    
 C  -0.8068000       1.486700      -1.472700    
 C   0.4807000      -1.776600      -1.147300    
 C   -3.710600      0.8895000     -0.4458000    
 C  -0.8401000      -2.507900       1.575500    
 C   -3.563100      -1.180100       1.459900    
 C    1.708800      0.1569000      0.4193000    
 C    1.811600      -1.691400      -1.201400    
 C    2.466000     -0.6506000     -0.4297000    
 C   -4.764100      0.6711000      0.4404000    
 C   -4.691700     -0.3586000       1.386200    
 C    2.329600       1.142800       1.190300    
 C    3.850600     -0.4616000     -0.5081000    
 C    4.468600      0.5287000      0.2569000    
 C    3.708500       1.329800       1.106400    
 C   -5.886100       2.489600     -0.6037000    
 H   -2.133700      -1.573800      -2.468700    
 H   -2.498800      3.0400001E-02  -3.096100    
 H  -0.8654000     -0.6125000      -3.256800    
 H   -1.485400       2.072100      -2.104000    
 H  -0.6847000       2.048600     -0.5399000    
 H   0.1620000       1.451200      -1.982700    
 H  -7.1000000E-03  -2.565200      -1.715300    
 H   -3.713200       1.656500      -1.210300    
 H   -1.567200      -3.298900       1.787300    
 H  -0.6721000      -1.928000       2.489400    
 H   0.1010000      -3.001700       1.313600    
 H   -3.530000      -1.972300       2.201000    
 H    2.399900      -2.377800      -1.798400    
 H   -5.518800     -0.5262000       2.071600    
 H    1.743200       1.770400       1.856300    
 H    4.428800      -1.101000      -1.172400    
 H    4.155100       2.108600       1.719100    
 H   -5.091700       3.223200     -0.4294000    
 H   -6.838400       3.020600     -0.5038000    
 H   -5.855400       2.077400      -1.618000    


%chk=000085986-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085986

0 1
O 0.399394 0.447108 0.011926
O -5.909482 1.474382 0.751739
O 6.445658 1.153915 1.821821
O 6.676620 -0.595544 0.371888
N -1.123434 -1.437787 0.294435
N 5.958376 0.288339 0.990429
C -1.525462 0.041920 -1.544607
C -0.393060 -0.716356 -0.722761
C -2.631133 0.142920 -0.488328
C -2.362677 -0.783376 0.545408
C -2.040661 -0.870988 -2.699281
C -1.053943 1.391172 -2.123061
C 0.570033 -1.568562 -1.506207
C -3.798426 0.919949 -0.477212
C -0.471339 -2.285207 1.294419
C -3.258788 -0.959815 1.618143
C 1.750291 0.354851 0.248225
C 1.925090 -1.532891 -1.349818
C 2.571764 -0.610413 -0.422034
C -4.707178 0.753377 0.605708
C -4.438166 -0.181313 1.635698
C 2.322098 1.284911 1.156665
C 3.959836 -0.620768 -0.169686
C 4.510600 0.309727 0.734936
C 3.702345 1.266653 1.401719
C -6.227266 2.466341 -0.274305
H -2.323099 -1.873063 -2.329960
H -2.938417 -0.411754 -3.148559
H -1.280293 -0.978287 -3.494333
H -1.862439 1.839678 -2.729746
H -0.776902 2.096913 -1.325573
H -0.178347 1.249431 -2.782398
H 0.109987 -2.281768 -2.195884
H -3.993547 1.637959 -1.279652
H -1.148574 -3.104345 1.595711
H -0.182998 -1.714618 2.201037
H 0.434097 -2.736589 0.857714
H -3.057257 -1.666135 2.429524
H 2.559982 -2.214398 -1.928455
H -5.162395 -0.275891 2.450352
H 1.666536 2.008471 1.649242
H 4.619935 -1.339214 -0.665463
H 4.171935 1.970568 2.093486
H -5.452730 3.257168 -0.327467
H -7.184764 2.908617 0.038245
H -6.343996 1.996411 -1.271281


