%chk=000211822.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000211822

0 1
O 2.572975 -0.651582 1.567414
N -1.431798 -0.046114 0.389032
N -0.133039 0.311825 0.628029
N 4.191485 0.379883 -0.701980
C -0.173499 -1.690599 -0.488749
C -1.497179 -1.269966 -0.303324
C 0.193484 -2.936761 -1.204224
C -2.701840 -1.993808 -0.779075
C -1.044631 -3.834514 -1.400341
C -2.280900 -3.032784 -1.839456
C 0.648315 -0.681432 0.107491
C 2.145387 -0.657486 0.198908
C 2.721772 0.574237 -0.534320
C -2.512063 0.806203 0.817467
C 4.889289 1.589128 -1.236358
C -3.694001 0.231866 1.314636
C -2.366415 2.202595 0.734535
C 6.327468 1.175282 -1.580719
C 4.890496 2.783318 -0.265266
C -4.741872 1.068729 1.706084
C -3.423281 3.020173 1.137791
C -4.611918 2.458136 1.616689
H 0.641234 -2.681390 -2.188359
H 0.976874 -3.491058 -0.646889
H -3.197640 -2.505787 0.073534
H -3.452269 -1.296566 -1.204547
H -0.820447 -4.617043 -2.148518
H -1.264994 -4.365597 -0.453631
H -3.124231 -3.718752 -2.039838
H -2.065274 -2.515503 -2.795182
H 2.592510 -1.609357 -0.182720
H 2.448742 1.499835 0.017715
H 2.264404 0.658675 -1.545124
H 4.601184 0.095638 0.198238
H 4.363133 1.892244 -2.179725
H 2.107533 0.046488 2.077843
H -3.790656 -0.847840 1.414410
H -1.433545 2.636015 0.368834
H 6.852469 1.975896 -2.109563
H 6.910284 0.926922 -0.687574
H 6.330940 0.285736 -2.224806
H 3.873943 3.116862 -0.033703
H 5.426088 3.637492 -0.691447
H 5.379018 2.536368 0.683087
H -5.663609 0.631976 2.090369
H -3.318971 4.103704 1.077656
H -5.433153 3.103011 1.924978


%chk=000211822-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000211822

0 1
O 2.296664 0.581295 1.794342
N -1.553798 -0.047744 0.644780
N -0.273568 0.361438 1.043503
N 4.220162 0.428861 -0.312086
C -0.116774 -1.399997 -0.439952
C -1.479595 -1.111377 -0.263847
C 0.390941 -2.491199 -1.352668
C -2.607418 -1.807305 -0.982029
C -0.776792 -3.420503 -1.778702
C -2.028205 -2.602698 -2.184519
C 0.585239 -0.466291 0.385977
C 2.065797 -0.279978 0.621318
C 2.780730 0.347038 -0.600071
C -2.687375 0.664378 1.152180
C 5.096952 0.959944 -1.383064
C -3.952817 0.038371 1.276946
C -2.523479 2.013870 1.555963
C 6.567631 0.745165 -0.968898
C 4.837041 2.450354 -1.748883
C -5.050410 0.771140 1.778845
C -3.624722 2.730861 2.065098
C -4.896066 2.118797 2.173652
H 0.856763 -2.046884 -2.256693
H 1.187034 -3.079154 -0.855602
H -3.127329 -2.514430 -0.302954
H -3.369370 -1.083765 -1.329993
H -0.455473 -4.063366 -2.619310
H -1.041233 -4.093003 -0.938238
H -2.810805 -3.273882 -2.585049
H -1.755653 -1.898204 -2.994961
H 2.552020 -1.251394 0.836423
H 2.287989 1.328170 -0.811165
H 2.630442 -0.299372 -1.489105
H 4.375969 0.894192 0.594322
H 4.898202 0.346618 -2.287461
H 1.418051 0.991157 2.027364
H -4.081244 -1.015616 1.019769
H -1.536841 2.475038 1.469414
H 7.259045 1.084026 -1.761868
H 6.800472 1.317940 -0.049709
H 6.754075 -0.322552 -0.761596
H 3.784226 2.618734 -2.041630
H 5.477856 2.768407 -2.593013
H 5.060827 3.104333 -0.883909
H -6.024253 0.278542 1.875158
H -3.489640 3.773019 2.374618
H -5.749468 2.681323 2.566609


