%chk=000290045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290045

0 1
O 6.252417 0.003760 1.004096
O 4.841806 -3.916699 0.234600
O 3.895359 -3.093371 -1.622197
O -0.653442 -1.993779 -0.527659
O -0.158090 -1.157200 1.499608
O -3.544255 -2.559327 -0.532567
N 4.512431 -0.509933 -0.378941
N -0.584134 2.199700 -0.193171
N -2.892397 0.077073 0.311809
N -5.047414 1.893308 0.633567
N -6.569090 0.175235 -0.028470
N -5.779321 -2.047716 -0.616606
N -8.066363 -1.502914 -0.861431
C 4.096600 -1.676169 0.415185
C 2.651234 -1.571106 0.931234
C 5.126688 2.727703 -0.379611
C 5.868275 1.480285 -0.878909
C 3.635824 2.538861 -0.321504
C 5.593963 0.292247 0.021918
C 1.601395 -1.469320 -0.175727
C 4.237848 -2.914075 -0.478976
C 2.978868 2.484647 0.916531
C 2.881259 2.420431 -1.499327
C 0.839396 2.223438 -0.196085
C 1.595303 2.329487 0.988769
C 1.500881 2.249872 -1.446618
C -1.266315 1.738556 1.051685
C 0.211716 -1.509311 0.398571
C -2.685840 1.339854 0.735872
C -4.165207 -0.312959 0.057942
C -3.777218 2.255370 0.886110
C -5.249756 0.592695 0.222524
C -4.411676 -1.734171 -0.390206
C -6.759000 -1.167316 -0.485045
H 4.799933 -1.786120 1.301862
H 2.570297 -0.684074 1.600563
H 2.434907 -2.445485 1.583334
H 5.523464 3.012040 0.619622
H 5.370696 3.585286 -1.042472
H 6.964804 1.670189 -0.871958
H 5.611081 1.267305 -1.934841
H 3.887964 -0.222837 -1.130372
H 1.724805 -2.276942 -0.937382
H 1.714360 -0.519740 -0.747620
H 3.554130 2.564542 1.840504
H 3.378010 2.466598 -2.468404
H 1.114078 2.301297 1.963091
H 0.931858 2.165524 -2.369769
H -0.987974 1.774659 -1.035024
H -1.246717 2.577315 1.786408
H -0.737855 0.868696 1.538547
H -3.609148 3.293802 1.208407
H 4.958566 -4.754887 -0.290113
H -7.324820 0.862019 0.022735
H -1.629207 -2.015548 -0.222593
H -8.841126 -1.101317 -0.351635
H -8.208654 -2.480978 -1.121060


%chk=000290045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290045

0 1
O 5.340329 0.445350 1.562458
O 3.551093 -4.042560 1.196315
O 4.352471 -3.467871 -0.906413
O -0.581665 -0.971791 -1.838924
O -0.778217 -1.612526 0.389084
O -3.174953 -1.226320 -2.137000
N 4.390427 -0.763350 -0.187234
N -0.494955 2.154677 -0.192898
N -2.744329 0.764411 -0.130284
N -4.701866 0.935471 1.932833
N -6.039736 -0.607045 0.734713
N -5.340638 -1.591632 -1.355161
N -7.452660 -2.057025 -0.491946
C 3.654715 -1.689192 0.676639
C 2.116391 -1.403537 0.712123
C 5.248704 2.641563 -0.579573
C 5.793461 1.184338 -0.739605
C 3.728183 2.676979 -0.527222
C 5.177910 0.261227 0.316282
C 1.451300 -1.479984 -0.676473
C 3.914657 -3.120577 0.213703
C 3.052755 3.003433 0.672439
C 2.936530 2.274631 -1.637955
C 0.876910 2.400239 -0.299493
C 1.651562 2.886904 0.792326
C 1.541704 2.134738 -1.535499
C -1.225532 2.284503 1.052440
C -0.070263 -1.362892 -0.624155
C -2.551063 1.552934 0.958793
C -3.883969 0.019457 -0.188186
C -3.534740 1.631010 1.986942
C -4.859137 0.133177 0.840604
C -4.094801 -0.961447 -1.296522
C -6.246187 -1.410534 -0.389037
H 4.052989 -1.559739 1.699682
H 1.983756 -0.390737 1.133761
H 1.633328 -2.117799 1.401816
H 5.660925 3.061029 0.354998
H 5.643219 3.248222 -1.418340
H 6.890961 1.189899 -0.603883
H 5.580689 0.813635 -1.760201
H 4.342910 -0.916979 -1.195927
H 1.672758 -2.447699 -1.172963
H 1.828642 -0.689501 -1.347446
H 3.637689 3.318440 1.544539
H 3.422061 2.047734 -2.596514
H 1.175267 3.144967 1.743988
H 0.953929 1.792178 -2.395566
H -0.944938 1.545534 -0.886926
H -1.401697 3.349161 1.324093
H -0.661485 1.838489 1.906131
H -3.384704 2.265080 2.866825
H 3.687517 -4.967228 0.852956
H -6.712896 -0.524242 1.502269
H -1.616570 -0.998162 -1.891891
H -8.211476 -1.949178 0.176218
H -7.572065 -2.661364 -1.302932


