%chk=000127166.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127166

0 1
 I   -6.537100      0.4187000      -2.909400    
 O    4.995700      0.7712000      0.9924000    
 O    6.112800      -1.309300      -1.179600    
 O    6.679100       1.172100      -2.156400    
 O    6.424800       3.065900       1.809700    
 N    2.982100     -0.2583000      0.2712000    
 N   0.9504000      0.6633000      0.2431000    
 N    2.370100      -2.608100      0.3521000    
 N   -1.566600      -1.041600      0.3020000    
 N  -5.3599998E-02  -2.894500      0.3650000    
 N   -7.516600       1.189500      0.1412000    
 N   -7.300400       2.418900      9.1899998E-02
 N   -7.112300       3.543800      4.7300000E-02
 C    5.058200     -0.3499000      -1.128700    
 C    4.443000     -0.3511000      0.2718000    
 C    5.594300       1.063200      -1.260000    
 C    5.997000       1.389500      0.1677000    
 C    6.052000       2.879100      0.4557000    
 C    2.093200      -1.296100      0.3077000    
 C    2.246000      0.8977000      0.2338000    
 C   0.8405000     -0.7038000      0.2892000    
 C  -0.2587000      -1.556100      0.3193000    
 C    1.229200      -3.330900      0.3783000    
 C   -2.733800      -1.872200      0.3314000    
 C   -4.000900      -1.061500      0.2679000    
 C   -4.559200     -0.7605000     -0.9665000    
 C   -4.592600     -0.6268000       1.445600    
 C   -5.733300     -9.3999999E-03  -1.024300    
 C   -5.766500      0.1242000       1.387800    
 C   -6.336900      0.4328000      0.1530000    
 H    4.355800     -0.6011000      -1.930100    
 H    4.700400      -1.253600      0.8382000    
 H    4.785700       1.725000      -1.594200    
 H    6.961800      0.9337000      0.4260000    
 H    5.076200       3.353900      0.3103000    
 H    6.788000       3.383000     -0.1771000    
 H    5.713200      -2.186500      -1.050200    
 H    6.981600       2.095800      -2.144300    
 H    2.700500       1.878300      0.1961000    
 H    5.764600       2.612400       2.361300    
 H   -1.665600     -3.2400001E-02  0.2705000    
 H    1.356000      -4.407500      0.4149000    
 H   -2.741600      -2.483400       1.243400    
 H   -2.718600      -2.580500     -0.5073000    
 H   -4.076800      -1.109800      -1.876300    
 H   -4.155400     -0.8603000       2.412300    
 H   -6.227900      0.4625000       2.312200    


%chk=000127166-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000127166

0 1
I -8.043560 0.863186 -1.495027
O 5.170856 1.126353 1.291954
O 6.031973 -1.749033 1.487948
O 6.979210 -1.145254 -0.914507
O 6.413438 3.443048 0.045567
N 2.995042 0.258233 0.768640
N 1.128216 1.542085 0.365253
N 2.115585 -1.950915 -0.033063
N -1.391842 0.287240 -0.864800
N -0.195441 -1.770418 -0.853945
N -7.316453 -0.065995 1.859387
N -8.547371 -0.178940 1.587420
N -9.727698 -0.290811 1.612259
C 5.068648 -1.164383 0.561852
C 4.328939 -0.070272 1.353140
C 5.809511 -0.351138 -0.532689
C 6.164866 0.982841 0.173145
C 6.060039 2.235759 -0.699560
C 2.028242 -0.610319 0.229700
C 2.387503 1.527472 0.837298
C 0.893174 0.209666 -0.015509
C -0.251485 -0.422635 -0.588356
C 0.959655 -2.444240 -0.566603
C -2.583759 -0.301246 -1.489574
C -3.837260 -0.178483 -0.630442
C -5.072091 0.168878 -1.223816
C -3.805192 -0.441421 0.762621
C -6.261481 0.232581 -0.463294
C -4.981865 -0.387311 1.522288
C -6.238996 -0.071269 0.928913
H 4.386686 -1.927442 0.148781
H 4.218139 -0.351184 2.413406
H 5.143174 -0.179649 -1.402985
H 7.162716 0.912480 0.643904
H 5.035093 2.307356 -1.124060
H 6.788338 2.187507 -1.529760
H 6.799354 -2.073956 0.945229
H 7.450865 -0.738147 -1.680652
H 2.920014 2.387022 1.233344
H 5.875532 3.454480 0.878852
H -1.377783 1.285286 -0.640977
H 0.955891 -3.513131 -0.799680
H -2.336295 -1.365855 -1.660389
H -2.761396 0.162816 -2.479651
H -5.110659 0.398050 -2.294258
H -2.855538 -0.696343 1.243611
H -4.976735 -0.603249 2.594988


