%chk=000134917.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134917

0 1
 I  -0.1940000      0.2803000       2.564900    
 I   -3.739900       1.237400      -2.320000    
 I    2.174700       1.581900      -2.929100    
 O   -3.623200      -3.694600      -1.260600    
 O   -6.893900      0.5748000       2.081000    
 O    4.775300      0.7063000      0.1060000    
 O    3.442800       1.880800       1.820400    
 O    6.025300      -1.758300      0.1002000    
 N   -3.886200     -0.2936000      0.1357000    
 N    1.985200      0.8695000      0.2515000    
 C   -2.915000      0.5771000      0.7972000    
 C   -1.696700      0.8089000     -5.6400001E-02
 C   -3.272600      -1.576300     -0.2064000    
 C   -5.055000     -0.4979000      0.9905000    
 C  -0.4242000      0.7298000      0.5016000    
 C   0.6979000      0.9465000     -0.2981000    
 C   -1.856900       1.103100      -1.407500    
 C   -4.265400      -2.469300     -0.9334000    
 C   -5.757800      0.8225000       1.263300    
 C   0.5425000       1.241600      -1.652500    
 C  -0.7348000       1.320000      -2.207200    
 C    2.668900     -0.4217000      0.2468000    
 C    2.645000       1.965300      0.8814000    
 C    4.030100     -0.4346000      0.1740000    
 C    1.884800      -1.536500      0.3169000    
 C    4.667200      -1.675400      0.1708000    
 C    2.340900       3.336600      0.3147000    
 C    2.521900      -2.777300      0.3135000    
 C    3.913100      -2.846800      0.2406000    
 H   -3.316800       1.581200      0.9752000    
 H   -2.721500      0.1499000       1.778600    
 H   -2.394200      -1.488000     -0.8551000    
 H   -2.914000      -2.097000      0.6930000    
 H   -4.794000     -0.9937000       1.935100    
 H   -5.816900      -1.123300      0.5168000    
 H   -4.622300      -2.011300      -1.860700    
 H   -5.122600      -2.753600     -0.3206000    
 H   -6.106900       1.291500      0.3382000    
 H   -5.148500       1.543900       1.811400    
 H  -0.8562000       1.549700      -3.263800    
 H   0.8049000      -1.557300      0.3341000    
 H   -4.271600      -4.240000      -1.738000    
 H   -6.577700      0.1894000       2.916000    
 H    2.532600       4.084700       1.091300    
 H    1.299800       3.452400      1.1600000E-02
 H    3.007700       3.541500     -0.5251000    
 H    1.934900      -3.690300      0.3583000    
 H    4.396200      -3.820200      0.2369000    
 H    5.715100      0.4582000      6.2399998E-02
 H    6.286600      -2.695200      0.1096000    


%chk=000134917-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134917

0 1
I -0.231730 0.404450 2.653879
I -3.674624 1.941719 -2.368596
I 2.319669 1.560684 -2.841793
O -2.779007 -3.753535 -0.220398
O -7.545513 0.429011 0.947239
O 4.775728 0.501347 -0.426526
O 3.596413 1.337048 1.987635
O 5.959184 -1.859145 -0.748595
N -3.819338 -0.238632 0.480410
N 2.027815 0.746736 0.352667
C -3.045750 0.980125 0.832551
C -1.770273 1.130477 0.011466
C -3.088280 -1.522772 0.607100
C -5.160920 -0.250164 1.112692
C -0.469243 0.913836 0.556033
C 0.733085 1.007923 -0.216869
C -1.820224 1.486307 -1.365940
C -3.558320 -2.525704 -0.455707
C -6.223078 0.528183 0.307652
C 0.598742 1.350154 -1.590296
C -0.664527 1.590013 -2.164270
C 2.629784 -0.544489 0.113524
C 2.651202 1.684357 1.238270
C 4.001926 -0.636882 -0.232677
C 1.857925 -1.732759 0.190486
C 4.581583 -1.919038 -0.424947
C 2.114071 3.108854 1.181015
C 2.443371 -2.992839 -0.035806
C 3.823748 -3.097627 -0.332747
H -3.697105 1.852036 0.632009
H -2.790886 1.009178 1.916291
H -2.011036 -1.350997 0.447351
H -3.196663 -1.982617 1.616101
H -5.120827 0.153095 2.158227
H -5.509229 -1.294772 1.196718
H -3.366550 -2.104332 -1.463503
H -4.647187 -2.723373 -0.356078
H -6.351603 0.071131 -0.685480
H -5.928143 1.588651 0.166299
H -0.742799 1.868132 -3.216865
H 0.798059 -1.667724 0.450064
H -3.027478 -4.435866 -0.892439
H -7.509933 0.866785 1.835429
H 2.791928 3.745655 1.768319
H 1.101972 3.179039 1.618804
H 2.065722 3.479970 0.142305
H 1.830063 -3.895920 0.035621
H 4.289429 -4.077541 -0.493887
H 5.718776 0.221666 -0.570463
H 6.354671 -2.757237 -0.847274


