%chk=000299686.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000299686

0 1
O -2.704415 -0.491814 1.949128
N -3.875541 -0.454803 -0.002114
C 1.506260 -0.447275 -0.393947
C 3.974305 0.261438 -0.280364
C 2.826765 -0.263264 -1.166823
C 0.889050 0.912222 -0.007609
C 0.502815 -1.261296 -1.238667
C -1.430988 -0.096775 -0.091665
C -0.434285 0.729597 0.742007
C -0.820586 -1.454706 -0.488720
C 4.442774 -0.813063 0.722176
C 5.159021 0.717799 -1.158439
C 5.597640 -0.294078 1.589090
C 6.316703 1.238156 -0.295123
C 6.772206 0.183734 0.723574
C -2.693633 -0.347942 0.736947
C -5.184580 -0.637769 0.669907
C -6.104506 0.577329 0.481400
C -6.720248 0.645660 -0.922008
C -7.661140 1.839671 -1.065733
H 1.716508 -1.017734 0.545286
H 3.606101 1.145277 0.297132
H 2.667060 0.428889 -2.015103
H 3.126096 -1.224847 -1.625611
H 0.731888 1.528036 -0.912559
H 1.600569 1.478483 0.624442
H 0.933604 -2.248744 -1.488958
H 0.321495 -0.753192 -2.204026
H -1.675846 0.476120 -1.017869
H -0.262629 0.225221 1.716627
H -0.873014 1.713652 0.991262
H -1.531825 -2.025806 -1.113403
H -0.651527 -2.065517 0.422015
H 3.596685 -1.121226 1.365089
H 4.761349 -1.722282 0.179173
H 5.509292 -0.123738 -1.784887
H 4.830570 1.507040 -1.858600
H 5.242526 0.535803 2.229582
H 5.936314 -1.089195 2.278789
H 7.165424 1.529126 -0.941268
H 6.004588 2.158625 0.234453
H 7.219791 -0.678527 0.193434
H 7.570773 0.598574 1.365519
H -3.903486 -0.265857 -0.995564
H -5.004319 -0.810358 1.761083
H -5.661079 -1.561819 0.274481
H -6.910516 0.536155 1.241184
H -5.547802 1.510470 0.699142
H -7.271312 -0.291206 -1.137442
H -5.921009 0.709742 -1.685163
H -8.095454 1.884074 -2.070866
H -7.140768 2.788510 -0.891052
H -8.492163 1.788026 -0.352638


%chk=000299686-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000299686

0 1
O -2.902225 -1.338547 1.596543
N -4.002631 -0.648015 -0.337135
C 1.500133 -0.779922 -0.356509
C 3.915752 0.284794 -0.321298
C 2.866197 -0.582935 -1.063312
C 0.732315 0.553082 -0.165712
C 0.620535 -1.778505 -1.152617
C -1.526303 -0.653802 -0.321126
C -0.654933 0.347256 0.484675
C -0.763308 -1.996203 -0.502055
C 4.378311 -0.354423 1.014689
C 5.142576 0.549033 -1.234074
C 5.462971 0.492253 1.724222
C 6.224725 1.402478 -0.531639
C 6.674838 0.752801 0.798355
C -2.855601 -0.905755 0.402290
C -5.358558 -0.844798 0.204765
C -6.096164 0.477557 0.520152
C -6.385083 1.350039 -0.723429
C -7.161267 2.638934 -0.376966
H 1.673826 -1.220303 0.649355
H 3.462528 1.272876 -0.086022
H 2.677243 -0.133497 -2.062891
H 3.314654 -1.582239 -1.254523
H 0.612150 1.038201 -1.158867
H 1.322695 1.252420 0.457244
H 1.146082 -2.750393 -1.241085
H 0.489522 -1.394033 -2.187488
H -1.720870 -0.222267 -1.327899
H -0.541249 -0.052127 1.511122
H -1.180567 1.318319 0.574690
H -1.367634 -2.695202 -1.113244
H -0.646551 -2.459507 0.496902
H 3.514931 -0.497103 1.693137
H 4.786083 -1.365775 0.799835
H 5.583790 -0.426154 -1.533200
H 4.811577 1.047072 -2.167807
H 5.024130 1.465255 2.029494
H 5.791212 -0.014233 2.653023
H 7.094072 1.544860 -1.203165
H 5.813331 2.411890 -0.321022
H 7.179605 -0.211376 0.579647
H 7.417754 1.396095 1.309232
H -3.897811 -0.289921 -1.287392
H -5.232601 -1.437809 1.127486
H -5.952385 -1.444226 -0.514444
H -7.055738 0.224688 1.016081
H -5.499908 1.054373 1.253882
H -6.962677 0.754828 -1.461108
H -5.428639 1.623492 -1.214997
H -7.362046 3.247312 -1.277775
H -6.590068 3.264145 0.334506
H -8.133219 2.399617 0.094176


