%chk=000209212.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000209212

0 1
O -0.033341 0.411675 -0.169962
O -0.996774 -2.604535 0.043063
O 0.344064 -3.867185 1.331201
N -3.524352 1.176480 0.627525
N 2.276823 0.144753 0.037822
N 3.235105 -0.811930 0.346304
C -2.166694 1.348385 0.022713
C -1.311856 0.187274 0.543370
C -4.161587 2.488025 0.943264
C -4.383727 0.280616 -0.214999
C 0.985983 -0.416484 0.114966
C 1.137179 -1.757413 0.514209
C 2.574982 -1.949774 0.657127
C -4.468136 3.396924 -0.249018
C -5.635211 -0.141940 0.553375
C 2.678404 1.457723 -0.400050
C 3.257378 -3.193845 1.058050
C 0.198118 -2.834669 0.707793
C 1.797225 2.242450 -1.162114
C 3.952950 1.939319 -0.045201
C 2.195824 3.522971 -1.554310
C 4.330945 3.218374 -0.452799
C 3.456334 4.013553 -1.202973
C -2.033756 -3.637205 0.172675
C -3.113590 -3.188802 -0.788905
H -1.713730 2.314054 0.338613
H -2.161103 1.359088 -1.088696
H -1.118160 0.233850 1.625430
H -1.701908 -0.808014 0.253202
H -5.099571 2.271145 1.503569
H -3.493738 3.015485 1.661695
H -4.667269 0.743397 -1.184716
H -3.784293 -0.637380 -0.458119
H -3.565191 3.660686 -0.809401
H -5.164485 2.925150 -0.951597
H -4.929123 4.334384 0.082772
H -5.379645 -0.493290 1.562790
H -6.346198 0.683962 0.669335
H -6.155197 -0.956570 0.038303
H 2.593809 -3.834554 1.672208
H 3.549549 -3.788648 0.177386
H 4.172558 -2.998810 1.637439
H 0.813867 1.863977 -1.449664
H 4.636605 1.314189 0.534592
H 1.516650 4.138680 -2.143182
H 5.316224 3.598938 -0.183103
H 3.760049 5.011132 -1.514320
H -2.355629 -3.647972 1.227839
H -1.582698 -4.610159 -0.090911
H -3.976335 -3.864231 -0.758577
H -2.740774 -3.159580 -1.821976
H -3.471154 -2.168848 -0.550036


%chk=000209212-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000209212

0 1
O -0.110643 0.130291 -0.545456
O -0.977552 -2.801263 -0.111071
O 0.643614 -4.191911 0.821132
N -3.502686 1.333258 0.474422
N 2.217232 0.091240 -0.036849
N 3.228589 -0.768918 0.453495
C -2.196237 1.337113 -0.221865
C -1.336552 0.187223 0.323799
C -3.980266 2.666633 0.915439
C -4.514920 0.467974 -0.181185
C 0.985634 -0.556089 -0.094544
C 1.199863 -1.888120 0.355162
C 2.606843 -1.949397 0.692143
C -4.429121 3.639767 -0.209261
C -5.663667 0.057236 0.758791
C 2.572035 1.444523 -0.357023
C 3.395700 -3.112623 1.216459
C 0.313572 -3.049342 0.400834
C 1.791979 2.226515 -1.246167
C 3.753238 1.979142 0.217511
C 2.189768 3.550526 -1.533197
C 4.138697 3.300569 -0.085166
C 3.358958 4.096642 -0.956918
C -1.874927 -3.996258 -0.145898
C -3.234531 -3.524821 -0.653105
H -1.677126 2.295680 -0.040732
H -2.291187 1.224780 -1.326514
H -1.026445 0.382821 1.366417
H -1.847239 -0.785573 0.261055
H -4.816651 2.517184 1.623116
H -3.164499 3.134197 1.498711
H -4.937280 0.942614 -1.101908
H -3.992678 -0.445952 -0.521246
H -3.609444 3.833202 -0.926048
H -5.290983 3.240710 -0.774252
H -4.733307 4.609860 0.226076
H -5.259468 -0.415296 1.671577
H -6.280056 0.921800 1.064428
H -6.332275 -0.663231 0.252364
H 2.983380 -3.471902 2.175226
H 3.347580 -3.969802 0.522621
H 4.446526 -2.809516 1.355905
H 0.897375 1.803687 -1.706267
H 4.350856 1.347179 0.878360
H 1.586275 4.151258 -2.222855
H 5.051971 3.708323 0.361938
H 3.662454 5.123257 -1.188611
H -1.927872 -4.427907 0.869642
H -1.417669 -4.749993 -0.812241
H -3.918854 -4.388959 -0.735082
H -3.144903 -3.058763 -1.649769
H -3.687702 -2.794764 0.040604


