%chk=000203220.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000203220

0 1
O -3.801418 -2.912251 1.432814
N -3.831398 0.383874 -0.014628
N 2.446871 -2.183297 -0.034054
C -5.253202 0.794536 -0.271155
C -3.000370 1.453965 -0.659579
C -5.284385 1.657440 -1.552794
C -3.827169 2.089191 -1.799958
C -3.542482 -0.983300 -0.562052
C -2.344718 -1.555104 0.153579
C -1.045790 -1.160735 -0.157608
C 0.063443 -1.690214 0.533229
C 1.408055 -1.244072 0.170949
C 1.903437 0.042328 -0.046603
C -2.509536 -2.511661 1.184506
C 3.301226 -0.086331 -0.395262
C 3.615766 -1.486822 -0.386707
C -0.133611 -2.621524 1.561717
C -1.423926 -3.044021 1.891101
C 1.170437 1.299929 0.060204
C 4.318734 0.838540 -0.694490
C 4.905960 -1.966762 -0.686022
C 5.586463 0.364054 -0.987153
C 5.875492 -1.025288 -0.985637
C 1.270987 2.264196 -0.958141
C 0.359863 1.559469 1.179948
C 0.575463 3.470780 -0.851787
C -0.331830 2.768102 1.279043
C -0.225538 3.726718 0.265479
H -5.568069 1.391406 0.611975
H -5.935061 -0.071634 -0.330417
H -2.021753 1.074366 -1.010213
H -2.778614 2.201891 0.132961
H -5.947926 2.527679 -1.428714
H -5.677644 1.084438 -2.407868
H -3.473870 1.745875 -2.785562
H -3.724256 3.185893 -1.797834
H -3.373941 -0.992784 -1.660881
H -4.427922 -1.638430 -0.374911
H -0.881192 -0.412412 -0.940462
H 2.346014 -3.178249 0.016254
H 0.717212 -3.012623 2.119014
H -1.577729 -3.764810 2.687722
H 4.099023 1.904712 -0.685129
H 5.123053 -3.028949 -0.678597
H 6.387825 1.061533 -1.222325
H 6.888236 -1.347083 -1.224761
H 1.889034 2.063768 -1.831736
H 0.273486 0.812970 1.968902
H -3.853975 -3.533094 2.200162
H 0.658827 4.214474 -1.642127
H -0.956629 2.963065 2.149647
H -0.762455 4.668559 0.347861


%chk=000203220-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000203220

0 1
O -3.866970 -3.011916 1.115039
N -4.292557 0.064035 0.123351
N 2.505669 -2.124304 0.176223
C -5.621872 0.423674 -0.448423
C -3.628330 1.388580 0.294967
C -5.356037 1.573592 -1.478115
C -4.087193 2.292361 -0.911400
C -3.523881 -0.888572 -0.736179
C -2.348606 -1.496816 0.009484
C -1.027808 -1.063462 -0.221433
C 0.089395 -1.606236 0.474811
C 1.466591 -1.170350 0.179148
C 2.012158 0.081254 -0.178042
C -2.554158 -2.541691 0.954841
C 3.433734 -0.130115 -0.422089
C 3.710651 -1.524376 -0.197550
C -0.156775 -2.626866 1.432767
C -1.465155 -3.096376 1.666607
C 1.322564 1.390768 -0.217507
C 4.510477 0.731291 -0.765602
C 5.000629 -2.078574 -0.343468
C 5.801658 0.187338 -0.908941
C 6.044548 -1.204057 -0.708840
C 1.540052 2.291685 -1.298500
C 0.457668 1.804371 0.835267
C 0.911308 3.555785 -1.329558
C -0.173611 3.066012 0.802425
C 0.050261 3.950674 -0.279276
H -6.261430 0.801047 0.373365
H -6.116055 -0.461488 -0.883254
H -2.534649 1.274191 0.357970
H -3.976610 1.830442 1.248124
H -6.220933 2.253836 -1.572210
H -5.152604 1.153066 -2.480008
H -3.294814 2.374929 -1.676015
H -4.317197 3.316536 -0.567706
H -3.146200 -0.416661 -1.675983
H -4.225010 -1.692733 -1.022192
H -0.853968 -0.291349 -0.978757
H 2.350329 -3.125475 0.278266
H 0.671955 -3.038294 2.021111
H -1.636440 -3.891324 2.404580
H 4.341509 1.803831 -0.906775
H 5.191742 -3.144033 -0.172817
H 6.638696 0.841986 -1.176174
H 7.059939 -1.596988 -0.832318
H 2.185438 1.983423 -2.128847
H 0.294733 1.133166 1.685552
H -3.906688 -3.709868 1.815250
H 1.090356 4.230024 -2.175063
H -0.831704 3.364075 1.627073
H -0.436309 4.932252 -0.301279


