%chk=000205603.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000205603

0 1
O -0.496137 2.341907 -0.166671
N 3.427896 0.811759 -0.032817
N 6.237096 0.224669 -0.490284
N -1.488192 0.327381 0.253666
C 3.858920 -0.181258 -1.071630
C 4.479882 1.871902 0.115236
C 5.185253 -0.835673 -0.635934
C 5.807564 1.218715 0.548665
C 2.104459 1.421608 -0.380386
C 0.993292 0.461481 0.081612
C -0.350643 1.150625 0.035253
C 7.545438 -0.388930 -0.113019
C -2.830851 0.858761 0.110160
C -1.353271 -1.087963 0.529693
C -3.666151 -0.970060 -1.554971
C -2.248247 -1.514137 -1.770141
C -3.813936 0.268601 -0.709485
C -1.687330 -2.020391 -0.475186
C -3.121099 2.028165 0.846180
C -0.888216 -1.512800 1.782568
C -5.088958 0.871821 -0.743484
C -1.524289 -3.385075 -0.212171
C -4.384600 2.606124 0.783049
C -0.731227 -2.879975 2.024495
C -5.376868 2.020867 -0.012318
C -1.042100 -3.811691 1.029307
H 3.982691 0.275946 -2.078209
H 3.074999 -0.962767 -1.155646
H 4.149395 2.583884 0.901495
H 4.638476 2.454487 -0.818779
H 5.025459 -1.418678 0.297033
H 5.517515 -1.547959 -1.420389
H 6.591964 2.001310 0.624691
H 5.689198 0.767142 1.557674
H 1.986213 1.651625 -1.460707
H 1.986059 2.393681 0.153464
H 0.995554 -0.461338 -0.532820
H 1.216841 0.116975 1.117245
H 7.545859 -0.937980 0.839864
H 8.308669 0.403930 -0.056958
H 7.859950 -1.079439 -0.911961
H -4.291716 -1.772228 -1.100253
H -4.112948 -0.771112 -2.554754
H -1.595147 -0.720475 -2.192904
H -2.273424 -2.314404 -2.536592
H -2.336997 2.492739 1.448139
H -0.660513 -0.784560 2.560187
H -5.869290 0.430139 -1.363254
H -1.776773 -4.119069 -0.975938
H -4.598522 3.511166 1.348881
H -0.368877 -3.218437 2.994309
H -6.368567 2.466046 -0.062142
H -0.914852 -4.875755 1.223237


%chk=000205603-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000205603

0 1
O -0.486021 2.424761 -0.013358
N 3.467567 0.859979 0.028892
N 6.226728 0.146186 -0.543536
N -1.499025 0.333630 0.276977
C 3.804109 -0.318275 -0.810127
C 4.525821 1.894936 -0.106088
C 5.176161 -0.890659 -0.417363
C 5.894092 1.321575 0.295268
C 2.121769 1.414412 -0.260725
C 0.999877 0.490841 0.250721
C -0.369262 1.177176 0.166547
C 7.575234 -0.381697 -0.266036
C -2.845836 0.867850 0.135761
C -1.368105 -1.088451 0.537265
C -3.534183 -0.846176 -1.752367
C -2.099627 -1.427800 -1.847715
C -3.786093 0.309959 -0.777195
C -1.640440 -1.995036 -0.520391
C -3.210365 1.963261 0.960081
C -0.997496 -1.553584 1.817770
C -5.090750 0.874899 -0.801890
C -1.520286 -3.382152 -0.269610
C -4.503225 2.514884 0.901000
C -0.874785 -2.941267 2.052286
C -5.456798 1.960815 0.015453
C -1.134240 -3.856542 1.005636
H 3.823642 -0.047135 -1.896976
H 3.037066 -1.100606 -0.665656
H 4.273224 2.744976 0.554764
H 4.593100 2.278413 -1.155619
H 5.113935 -1.286024 0.629710
H 5.428029 -1.734597 -1.087366
H 6.674026 2.092842 0.150272
H 5.867268 1.054975 1.383520
H 1.975835 1.615103 -1.352022
H 2.026555 2.388383 0.250031
H 0.971218 -0.465668 -0.303070
H 1.225225 0.225818 1.302147
H 7.697055 -0.761372 0.781140
H 8.326341 0.412065 -0.430186
H 7.799997 -1.213179 -0.958411
H -4.224820 -1.673705 -1.490266
H -3.836370 -0.504090 -2.762078
H -1.407107 -0.631288 -2.181635
H -2.093695 -2.215900 -2.622818
H -2.460990 2.383868 1.635143
H -0.817605 -0.831409 2.621692
H -5.827797 0.449383 -1.495207
H -1.727710 -4.092932 -1.078559
H -4.764410 3.364410 1.540973
H -0.586521 -3.304426 3.044613
H -6.470129 2.373360 -0.039275
H -1.041284 -4.933486 1.184183


