%chk=000149945.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149945

0 1
 O    5.852100      0.6393000      5.7399999E-02
 O    4.650200      -1.202800      5.8100000E-02
 N   -1.273200       1.169800     -0.1196000    
 N    2.226600      -1.140200     -3.5000001E-03
 N   -5.535900      0.3895000     -0.1157000    
 N    4.751000      4.4599999E-02  3.8899999E-02
 C  -0.1855000      -1.000300     -7.9000004E-02
 C   -1.536100      -1.661600     -6.0600001E-02
 C   -1.480300      -3.151100     -0.3981000    
 C  -0.3521000      -3.831400      0.3683000    
 C   0.9947000      -3.232000     -3.0099999E-02
 C    1.001700      -1.726000     -1.8999999E-02
 C  -8.6300001E-02  0.3911000     -9.2399999E-02
 C    1.165700       1.017800     -7.0200004E-02
 C    2.311600      0.2023000     -2.6000001E-02
 C   -2.541700      0.6488000      0.2681000    
 C   -3.568500       1.747300      0.5368000    
 C    1.290400       2.417600     -8.9400001E-02
 C    3.557700      0.8229000     -4.9999999E-03
 C   -4.958300       1.233100      0.9237000    
 C    2.548100       3.013200     -6.7100003E-02
 C    3.683600       2.214100     -2.5300000E-02
 C   -5.686300       1.139500      -1.364100    
 C   -6.829300     -0.1454000      0.3138000    
 H   -1.997600      -1.630000      0.9268000    
 H   -2.135500      -1.331500     -0.9044000    
 H   -2.440800      -3.624200     -0.1622000    
 H   -1.314100      -3.290500      -1.475000    
 H  -0.3512000      -4.907800      0.1637000    
 H  -0.5130000      -3.708100       1.446800    
 H    1.254100      -3.561100      -1.044000    
 H    1.772200      -3.608500      0.6448000    
 H   -1.220200       2.135800     -0.4130000    
 H   -2.491400      0.1300000       1.226800    
 H   -3.015600      0.1131000     -0.5471000    
 H   -3.621200       2.439200     -0.3128000    
 H   -3.199500       2.365400       1.367500    
 H   0.4369000       3.087600     -0.1122000    
 H   -5.607500       2.089800       1.147700    
 H   -4.861100      0.6571000       1.852900    
 H    2.640800       4.094900     -8.0100000E-02
 H    4.649400       2.712600     -8.5000005E-03
 H   -4.721700       1.373800      -1.824100    
 H   -6.251000       2.068900      -1.226500    
 H   -6.217500      0.5340000      -2.108500    
 H   -7.562800      0.6469000      0.5022000    
 H   -6.716200     -0.7367000       1.229300    
 H   -7.238000     -0.8215000     -0.4454000    


%chk=000149945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149945

0 1
O 5.670987 0.638809 1.041150
O 5.005662 -0.802330 -0.600298
N -1.379275 0.884901 -0.489606
N 2.276170 -1.199463 0.234174
N -5.731178 0.753720 0.038479
N 4.798572 0.184861 0.195278
C -0.157659 -1.239766 -0.170653
C -1.379329 -2.090932 -0.512496
C -1.026596 -3.567974 -0.790891
C -0.131738 -4.114787 0.340025
C 1.218437 -3.371241 0.329629
C 1.099150 -1.865390 0.136767
C -0.197060 0.178516 -0.254835
C 1.048220 0.926565 -0.119109
C 2.266075 0.161450 0.059632
C -2.705780 0.598698 0.108413
C -3.493246 1.911336 0.292389
C 1.116705 2.354479 -0.129392
C 3.503049 0.897214 0.120209
C -4.907609 1.669465 0.864438
C 2.339025 3.027128 -0.012872
C 3.549094 2.292568 0.110579
C -6.102850 1.327639 -1.271428
C -6.914379 0.260271 0.774902
H -2.122034 -2.063321 0.309669
H -1.881302 -1.645300 -1.393573
H -1.958652 -4.156916 -0.881677
H -0.489008 -3.655980 -1.756167
H 0.038892 -5.200965 0.222786
H -0.644226 -3.971685 1.312843
H 1.858822 -3.757603 -0.488020
H 1.791563 -3.547318 1.258910
H -1.267744 1.844884 -0.817938
H -2.565272 0.115828 1.095581
H -3.309774 -0.087281 -0.511064
H -3.562146 2.440806 -0.680048
H -2.950367 2.584457 0.985710
H 0.202515 2.955807 -0.198390
H -5.410429 2.661983 1.007558
H -4.810758 1.213710 1.869182
H 2.368576 4.121024 -0.010205
H 4.514248 2.799126 0.200323
H -5.201492 1.557118 -1.865669
H -6.707778 2.266025 -1.182094
H -6.696700 0.590157 -1.839419
H -7.635328 1.070574 1.053441
H -6.593092 -0.244804 1.703188
H -7.455562 -0.476766 0.155291


