%chk=000297023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000297023

0 1
O 2.384038 -3.339193 0.152562
O -3.955118 -1.143982 -0.011592
O -3.739677 1.727758 0.093043
N 3.894763 -0.081024 0.245324
N -0.318827 -0.908101 0.452339
N 4.408551 -2.326880 -0.299172
C 2.596940 -0.850970 0.218722
C 1.673309 -0.484292 -0.958326
C 1.878458 -0.668117 1.568210
C 0.334434 -1.231684 -0.860806
C 0.530142 -1.402608 1.587544
C 3.056387 -2.333746 0.057113
C 5.015532 -0.972325 -0.218023
C -1.695810 -1.489926 0.521027
C 3.937709 1.295099 -0.140448
C -2.663751 -0.448135 -0.061375
C 5.267461 -3.521576 -0.299243
C -2.730979 0.875503 0.727374
C 4.995689 1.813506 -0.915115
C 2.957187 2.178060 0.366526
C -3.067016 0.721511 2.199354
C -5.040770 -0.316231 -0.241672
C -4.940048 1.094227 -0.171403
C 5.066495 3.185753 -1.167006
C 3.042434 3.541602 0.099648
C 4.095195 4.055230 -0.667541
C -6.262212 -0.929076 -0.525721
C -6.057153 1.896729 -0.409161
C -7.380034 -0.117252 -0.754729
C -7.277052 1.276216 -0.705273
H 2.161184 -0.707404 -1.925462
H 1.478792 0.609303 -0.959897
H 1.715905 0.421139 1.744951
H 2.517539 -1.018305 2.400734
H 0.501297 -2.326473 -0.996994
H -0.336122 -0.896329 -1.680448
H 0.005299 -1.182992 2.541413
H 0.701303 -2.505069 1.545993
H 5.425516 -0.687331 -1.217812
H 5.832301 -0.922642 0.541236
H -1.814816 -2.450430 -0.028599
H -1.983287 -1.716149 1.571297
H -2.462650 -0.240461 -1.136490
H 5.903639 -3.532166 -1.200032
H 4.629808 -4.428987 -0.318640
H 5.908527 -3.574441 0.596391
H -1.808682 1.481813 0.564680
H 5.761956 1.162014 -1.326972
H 2.139394 1.792520 0.983165
H -2.192658 0.402602 2.777621
H -3.417125 1.675994 2.616292
H -3.868618 -0.012758 2.361193
H 5.890091 3.577363 -1.764278
H 2.282076 4.215594 0.495418
H 4.154777 5.121120 -0.869996
H -6.327827 -2.013597 -0.568509
H -5.965842 2.979273 -0.360368
H -8.338641 -0.582121 -0.978061
H -8.155114 1.891244 -0.894308


%chk=000297023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000297023

0 1
O 2.454956 -3.446112 -0.113773
O -4.086417 -1.130162 0.523827
O -3.753453 1.592217 -0.466010
N 3.805371 -0.108506 -0.184278
N -0.340872 -0.964339 0.568907
N 4.480058 -2.295209 -0.431350
C 2.575637 -0.934196 0.006054
C 1.495466 -0.654856 -1.088596
C 1.984256 -0.794858 1.446516
C 0.147247 -1.338753 -0.789374
C 0.607839 -1.471319 1.600437
C 3.122495 -2.373312 -0.179049
C 4.998051 -0.928912 -0.452683
C -1.724253 -1.437635 0.821593
C 3.925707 1.289670 -0.119800
C -2.772309 -0.596579 0.076216
C 5.333064 -3.457960 -0.659648
C -2.699278 0.919229 0.356567
C 5.206536 1.896789 -0.321263
C 2.819399 2.159939 0.139503
C -2.845523 1.307264 1.833183
C -5.182501 -0.368785 0.054430
C -5.013693 0.957851 -0.431414
C 5.366795 3.296067 -0.265644
C 2.998093 3.556127 0.191399
C 4.267723 4.145007 -0.009085
C -6.463373 -0.955060 0.084820
C -6.129859 1.674469 -0.910788
C -7.580739 -0.229182 -0.383246
C -7.411338 1.082485 -0.890368
H 1.877031 -1.000148 -2.067964
H 1.334466 0.432865 -1.167976
H 1.882811 0.275207 1.691295
H 2.696062 -1.230784 2.172817
H 0.251804 -2.445110 -0.880648
H -0.588122 -1.004350 -1.543497
H 0.200836 -1.225392 2.599325
H 0.719307 -2.578722 1.537364
H 5.453713 -0.691991 -1.441482
H 5.784686 -0.790176 0.324319
H -1.870655 -2.508398 0.540330
H -1.933529 -1.358243 1.903615
H -2.709761 -0.744239 -1.021464
H 5.804824 -3.417774 -1.659726
H 4.694692 -4.354479 -0.598669
H 6.128117 -3.528900 0.106792
H -1.754188 1.311771 -0.051929
H 6.088572 1.281534 -0.523827
H 1.815868 1.761648 0.301889
H -1.947949 0.993746 2.395001
H -2.939434 2.403037 1.918647
H -3.732837 0.839049 2.292823
H 6.364095 3.722392 -0.425536
H 2.126570 4.190287 0.391665
H 4.395378 5.231236 0.033107
H -6.561533 -1.975971 0.467720
H -5.973510 2.691571 -1.284159
H -8.574458 -0.688307 -0.358880
H -8.273641 1.645662 -1.262335


