%chk=000128856.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128856

0 1
 O   -2.640600     -0.4367000      -1.126200    
 O    2.495700       2.643300      0.8966000    
 O    7.090700      -1.464500     -0.2653000    
 N   -5.996300     -0.6287000      0.3703000    
 C   -6.645400      0.5508000     -0.2015000    
 C   -7.039600      -1.652800      0.4134000    
 C   -7.997800      0.5678000      0.4955000    
 C   -8.255200     -0.8797000      0.9029000    
 C   -4.834600      -1.051000     -0.3980000    
 C   -3.759600      2.4000000E-02 -0.3803000    
 C   -1.410900      4.0100001E-02 -0.7535000    
 C  -0.2814000     -0.7477000     -0.9431000    
 C   -1.305800       1.307200     -0.1913000    
 C    1.084100       1.008200     -1.9999999E-04
 C   0.9703000     -0.2620000     -0.5650000    
 C  -5.4000001E-02   1.792800      0.1867000    
 C    2.389100       1.514900      0.3938000    
 C    3.642700      0.7211000      0.2181000    
 C    4.341900      0.8477000     -0.9593000    
 C    4.047000     -0.1045000       1.241400    
 C    5.512000      0.1064000      -1.123200    
 C    5.217100     -0.8458000       1.077600    
 C    5.949800     -0.7404000     -0.1048000    
 C    7.480700      -2.310300      0.8157000    
 H   -6.103700       1.479400      2.7999999E-03
 H   -6.788400      0.4548000      -1.285600    
 H   -7.241800      -2.069500     -0.5817000    
 H   -6.784900      -2.474100       1.090500    
 H   -8.784200      0.9490000     -0.1638000    
 H   -7.969600       1.204100       1.387900    
 H   -8.346400     -0.9472000       1.993300    
 H   -9.180600      -1.266300      0.4639000    
 H   -4.415600      -1.969500      3.3000000E-02
 H   -5.094900      -1.297700      -1.436100    
 H   -4.111600      0.9486000     -0.8500000    
 H   -3.494100      0.2223000      0.6670000    
 H  -0.3662000      -1.737400      -1.382800    
 H   -2.161800       1.960800     -5.5100001E-02
 H    1.829200     -0.9059000     -0.7285000    
 H   8.6000003E-03   2.788100      0.6187000    
 H    4.004600       1.505800      -1.754400    
 H    3.478800     -0.1884000       2.162800    
 H    6.078200      0.1925000      -2.046600    
 H    5.499200      -1.483900       1.908100    
 H    6.739800      -3.095800      0.9995000    
 H    8.408300      -2.809600      0.5170000    
 H    7.705400      -1.732000       1.718400    


%chk=000128856-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128856

0 1
O -2.786597 -1.077555 0.071122
O 2.604945 1.774027 2.123081
O 7.262357 -1.203078 -1.171723
N -6.438980 -0.341033 0.094719
C -6.715025 0.765296 -0.866695
C -7.658696 -1.191665 0.096110
C -8.255612 1.003995 -0.780547
C -8.790681 -0.146676 0.130203
C -5.181360 -1.073009 -0.130895
C -3.969960 -0.215154 0.253788
C -1.529010 -0.546754 0.365410
C -0.436064 -1.433917 0.188469
C -1.302774 0.778913 0.824574
C 1.122214 0.334266 0.897491
C 0.872418 -0.994722 0.447275
C 0.012568 1.198255 1.093894
C 2.485439 0.839734 1.261094
C 3.712371 0.257630 0.624978
C 3.728646 -0.299361 -0.686791
C 4.938052 0.342509 1.335897
C 4.924017 -0.767486 -1.256047
C 6.141632 -0.137984 0.787406
C 6.133601 -0.699454 -0.517230
C 8.543636 -1.161295 -0.458584
H -6.133915 1.667278 -0.602829
H -6.426045 0.472052 -1.908242
H -7.735421 -1.819550 -0.829265
H -7.659387 -1.867708 0.969550
H -8.706182 0.959786 -1.787525
H -8.497338 1.992496 -0.355138
H -8.922775 0.215583 1.164365
H -9.754003 -0.556728 -0.219205
H -5.175720 -1.977048 0.505120
H -5.065551 -1.410538 -1.192455
H -3.878286 0.678958 -0.395113
H -4.054087 0.107581 1.309695
H -0.639943 -2.457181 -0.140890
H -2.134408 1.472653 0.977624
H 1.702611 -1.699445 0.336935
H 0.207784 2.207441 1.471649
H 2.808288 -0.330589 -1.278502
H 4.924777 0.801385 2.330180
H 4.951566 -1.180409 -2.268837
H 7.066323 -0.069598 1.367768
H 8.500509 -1.748052 0.479054
H 9.268970 -1.615839 -1.148774
H 8.843295 -0.119711 -0.233564


