%chk=000133837.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000133837

0 1
 I   5.3199999E-02  -1.973800      -2.325100    
 O  -0.8941000      -1.282400      0.8804000    
 O   -2.463100      -3.526300      0.3955000    
 N   -4.287800     -0.3369000      0.8138000    
 N   -2.700400       1.325600     -0.6153000    
 N    3.650600      -1.549100     -0.1441000    
 N   -1.806800       1.787400      -2.784500    
 N    3.181300       3.023700       1.095900    
 N    4.073900      -2.279600      -3.556400    
 N    4.129900       2.304600      0.7127000    
 N    4.999900       1.651600      0.3674000    
 C   -4.993700      0.5136000     -0.1560000    
 C   -3.985700      0.9708000      -1.226900    
 C   -3.744800      -1.512100      0.1569000    
 C   -5.577900       1.709800      0.6077000    
 C   -6.125400     -0.3191000     -0.7734000    
 C   -2.993200      -2.420900       1.132600    
 C   -1.842600      -1.717900       1.849600    
 C   0.4113000      -1.208800       1.286900    
 C    1.493300      -1.408100      0.4064000    
 C   -1.749400       1.692000      -1.409000    
 C    2.793500      -1.315800      0.9077000    
 C   0.6696000     -0.9255000       2.633000    
 C    1.600700      -1.704800     -0.9811000    
 C  -0.4490000       2.043100     -0.7481000    
 C    3.066900      -1.033100       2.250700    
 C    2.939100      -1.785500      -1.289600    
 C    1.977800     -0.8395000       3.105400    
 C  -0.4427000       2.569300      0.5437000    
 C   0.7538000       1.843400      -1.425700    
 C   0.7662000       2.895800       1.158000    
 C    1.962800       2.170000     -0.8115000    
 C    1.969000       2.696100      0.4803000    
 C    3.564000      -2.057700      -2.537800    
 H   -3.536400      0.2045000       1.238800    
 H   -3.842300      0.1894000      -1.984400    
 H   -4.399000       1.843100      -1.751100    
 H   -3.061700      -1.284200     -0.6664000    
 H   -4.530200      -2.145500     -0.2694000    
 H   -4.793300       2.302600       1.092200    
 H   -6.277100       1.383400       1.386700    
 H   -6.124900       2.377100     -6.7900002E-02
 H   -6.815200      0.3376000      -1.318500    
 H   -6.719200     -0.8337000     -8.3999997E-03
 H   -5.781500      -1.056800      -1.505800    
 H   -3.694900      -2.821800       1.874100    
 H   -1.391900      -2.460700       2.522100    
 H   -2.193800     -0.8691000       2.444900    
 H   -2.017500      -4.114400       1.028800    
 H  -0.1231000     -0.7286000       3.349100    
 H    4.659200      -1.544200     -7.4800000E-02
 H    4.084900     -0.9629000       2.618600    
 H    2.156600     -0.6096000       4.152600    
 H   -2.650200       1.561800      -3.299900    
 H   -1.035700       2.144300      -3.338200    
 H   -1.366300       2.740900       1.090200    
 H   0.7851000       1.433600      -2.430700    
 H   0.7618000       3.305500       2.164600    
 H    2.871600       2.018900      -1.387500    


%chk=000133837-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000133837

0 1
I 0.261419 -2.467492 -2.083948
O -0.901256 -2.094191 1.095322
O -2.839250 -3.989160 0.336606
N -4.050629 -0.421377 0.720821
N -2.746142 1.540831 -0.825643
N 3.584400 -1.024204 0.272407
N -1.938494 1.754079 -3.084941
N 3.342464 2.864260 0.669964
N 4.209078 -1.424714 -3.219877
N 4.414742 2.335184 0.267625
N 5.503480 1.900173 0.063936
C -4.876522 0.570658 -0.044671
C -4.075946 1.100519 -1.287094
C -3.645082 -1.664962 0.020878
C -5.148582 1.744481 0.925271
C -6.213063 -0.049707 -0.501241
C -3.212179 -2.751017 1.037448
C -2.077678 -2.311234 1.970413
C 0.299158 -1.686438 1.668050
C 1.412910 -1.552102 0.779140
C -1.798709 1.809674 -1.696917
C 2.668992 -1.092190 1.320263
C 0.475659 -1.393247 3.034747
C 1.620936 -1.767396 -0.628667
C -0.440908 2.159430 -1.172753
C 2.851921 -0.788135 2.690062
C 2.957813 -1.432905 -0.922345
C 1.738261 -0.951842 3.528797
C -0.330125 2.772294 0.103154
C 0.745693 1.825707 -1.875992
C 0.926812 3.024682 0.676047
C 2.013375 2.058718 -1.308119
C 2.100738 2.641947 -0.018993
C 3.638491 -1.435468 -2.165984
H -3.199635 0.093429 1.006376
H -4.004216 0.270819 -2.031475
H -4.640522 1.929123 -1.773710
H -2.815436 -1.514362 -0.708845
H -4.504646 -2.080685 -0.530469
H -4.197564 2.225230 1.217450
H -5.653404 1.371085 1.832868
H -5.789328 2.510352 0.450248
H -6.863072 0.728659 -0.941542
H -6.736539 -0.491938 0.364538
H -6.077068 -0.839873 -1.262550
H -4.080024 -3.019458 1.664158
H -1.842513 -3.112372 2.697238
H -2.340454 -1.378884 2.506236
H -1.974356 -3.818551 -0.122899
H -0.357448 -1.494630 3.734621
H 4.556909 -0.723494 0.341984
H 3.814617 -0.443802 3.079144
H 1.833683 -0.732335 4.597566
H -2.820874 1.466000 -3.500726
H -1.196621 2.067752 -3.705020
H -1.251079 3.016897 0.639669
H 0.694691 1.320598 -2.847018
H 1.019692 3.483868 1.664479
H 2.918632 1.772816 -1.856284


