%chk=000191975.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191975

0 1
O 0.687908 -0.498045 0.974706
O 2.260252 3.334374 0.272202
N 4.167858 -1.184806 -0.545949
C -0.524836 -0.110088 0.292603
C -0.860986 1.270428 0.905932
C -0.385113 -0.056476 -1.243595
C 0.330167 2.181795 1.214411
C 0.867517 0.649093 -1.772014
C 1.465129 2.121896 0.184605
C -1.613659 -1.156491 0.687230
C 1.022747 2.089416 -1.280190
C -3.003661 -0.783467 0.265616
C 1.358383 -1.708041 0.535553
C 2.647448 -1.734922 1.358089
C -3.849309 -0.086515 1.144116
C -3.481382 -1.144718 -1.004967
C 3.698842 -0.755053 0.812599
C -5.146175 0.253803 0.751345
C -4.779012 -0.801877 -1.392682
C -5.614353 -0.100322 -0.517760
C 5.117723 -2.333617 -0.450435
C 4.817836 -0.040055 -1.253630
H -1.423619 1.121161 1.850008
H -1.560655 1.788960 0.219314
H -0.407546 -1.084183 -1.656149
H -1.288324 0.441381 -1.653569
H 0.740033 1.906915 2.207385
H -0.030819 3.226626 1.300565
H 1.768819 0.056301 -1.493373
H 0.837614 0.643484 -2.879733
H 2.155899 1.263788 0.419290
H -1.560178 -1.300574 1.787174
H -1.339075 -2.144698 0.267833
H 0.087683 2.661682 -1.420380
H 1.785105 2.623044 -1.887188
H 1.565918 -1.646947 -0.549181
H 0.708780 -2.570514 0.755024
H 2.486889 3.542011 1.191751
H 2.413124 -1.460920 2.407715
H 3.046898 -2.766654 1.380191
H -3.496964 0.188318 2.136242
H -2.842233 -1.696289 -1.690900
H 4.524126 -0.639703 1.544445
H 3.208660 0.253786 0.713309
H -5.794835 0.795701 1.437822
H -5.141227 -1.084059 -2.380004
H -6.623809 0.166022 -0.821784
H 4.615210 -3.176128 0.050740
H 6.051636 -2.118862 0.088871
H 5.375395 -2.668116 -1.467868
H 4.087640 0.779976 -1.363707
H 5.713790 0.363077 -0.760158
H 5.098145 -0.359895 -2.269568


%chk=000191975-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191975

0 1
O 0.803591 -0.487295 0.989909
O 2.075012 3.741210 0.044932
N 4.170030 -1.091998 -0.429402
C -0.458569 -0.108916 0.289447
C -0.816402 1.291638 0.852959
C -0.296065 -0.095369 -1.258084
C 0.338522 2.300751 1.082686
C 0.892247 0.702887 -1.843546
C 1.438955 2.397357 -0.000604
C -1.574403 -1.143524 0.702444
C 0.968788 2.197611 -1.449331
C -3.000005 -0.798278 0.292672
C 1.388883 -1.797289 0.654347
C 2.692113 -1.933765 1.450841
C -3.873456 -0.120209 1.183956
C -3.506300 -1.169543 -0.982061
C 3.799861 -0.956605 1.002098
C -5.198185 0.198022 0.809377
C -4.829747 -0.854340 -1.362420
C -5.681518 -0.164078 -0.469027
C 4.840959 -2.370807 -0.739656
C 4.960801 0.063187 -0.906283
H -1.321578 1.157427 1.828812
H -1.571065 1.733723 0.176419
H -0.221737 -1.141165 -1.621910
H -1.241615 0.304991 -1.673557
H 0.825989 2.068639 2.049562
H -0.118479 3.307644 1.175272
H 1.844175 0.212032 -1.558491
H 0.821408 0.630851 -2.947598
H 2.211012 1.629894 0.213165
H -1.511428 -1.241187 1.803243
H -1.308565 -2.126007 0.266396
H -0.000805 2.707291 -1.618569
H 1.711751 2.701336 -2.096376
H 1.606950 -1.859187 -0.430098
H 0.693545 -2.615647 0.936212
H 2.339556 3.930542 0.981692
H 2.477144 -1.748477 2.520920
H 3.042392 -2.981798 1.372916
H -3.514425 0.152467 2.183921
H -2.860697 -1.719654 -1.677659
H 4.692164 -1.090872 1.668744
H 3.429823 0.073395 1.154418
H -5.853495 0.720721 1.515583
H -5.198711 -1.153037 -2.350393
H -6.709470 0.078574 -0.760897
H 4.186349 -3.223212 -0.489682
H 5.806797 -2.503731 -0.186854
H 5.057532 -2.419826 -1.821848
H 4.397518 0.998201 -0.738028
H 5.953563 0.160455 -0.397076
H 5.144697 -0.034029 -1.991594


