%chk=000216312.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216312

0 1
O 4.727039 1.681231 -0.968919
O 0.528375 -2.502209 0.219648
N 2.822100 0.086406 0.438093
N 0.006345 -0.357788 0.908915
C 3.095276 -0.144066 -1.020712
C 4.065060 0.581491 1.118357
C 2.332353 -1.170212 1.083302
C 3.556362 1.180514 -1.646606
C 4.499775 1.890590 0.438579
C -1.368844 -0.324288 0.461719
C 0.876226 -1.422837 0.663017
C -2.297629 -1.254899 0.975213
C -1.751716 0.690675 -0.447797
C -3.640488 -1.166733 0.548721
C -3.104104 0.780226 -0.825844
C -4.027135 -0.150970 -0.331599
C -1.856563 -2.309475 1.935796
C -0.746335 1.656769 -0.991952
C -4.669769 -2.144209 1.022897
C -3.579898 1.851705 -1.756460
H 2.156823 -0.491441 -1.506333
H 3.859852 -0.931640 -1.198317
H 4.898523 -0.153201 1.085526
H 3.832056 0.771686 2.187364
H 2.926533 -2.077398 0.827895
H 2.377304 -1.071019 2.190417
H 3.920376 1.048060 -2.681042
H 2.765477 1.950069 -1.613613
H 3.747754 2.688777 0.567563
H 5.488819 2.233564 0.790433
H 0.414779 0.559240 1.123908
H -5.068329 -0.083766 -0.643340
H -2.684572 -2.809842 2.447583
H -1.197316 -1.901187 2.713563
H -1.277688 -3.086591 1.398898
H 0.269006 1.238401 -1.037130
H -0.706781 2.567870 -0.378949
H -0.989617 1.964171 -2.018659
H -5.662677 -1.951255 0.597604
H -4.394166 -3.171853 0.742534
H -4.775708 -2.115475 2.116520
H -3.314890 2.851196 -1.384772
H -3.132273 1.737558 -2.754164
H -4.669217 1.837852 -1.890958


%chk=000216312-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000216312

0 1
O 4.549535 2.094574 -0.396794
O 0.436321 -2.888438 0.102153
N 2.810678 -0.094658 0.382946
N 0.143076 -0.560495 0.402927
C 3.194670 0.119118 -1.042180
C 3.885423 0.396058 1.290093
C 2.383069 -1.490068 0.645939
C 3.485739 1.607648 -1.289624
C 4.160237 1.882413 1.007014
C -1.271839 -0.411965 0.207686
C 0.884013 -1.728003 0.337340
C -2.186629 -1.178772 0.985985
C -1.706022 0.551363 -0.752653
C -3.580857 -1.011429 0.740709
C -3.100362 0.732169 -0.959146
C -4.006263 -0.065900 -0.219872
C -1.693265 -2.122464 2.064290
C -0.674842 1.346425 -1.538357
C -4.618549 -1.817415 1.505103
C -3.641355 1.737916 -1.964406
H 2.365401 -0.216292 -1.692454
H 4.098539 -0.482012 -1.302418
H 4.830016 -0.182558 1.152552
H 3.554243 0.273713 2.338428
H 2.961091 -2.244654 0.070633
H 2.532960 -1.716580 1.719239
H 3.859316 1.774605 -2.312957
H 2.560192 2.203640 -1.131063
H 3.251768 2.480286 1.238834
H 5.008037 2.250834 1.607319
H 0.752319 0.272282 0.482816
H -5.082254 0.059796 -0.394688
H -2.457494 -2.285631 2.841883
H -0.785840 -1.721865 2.551667
H -1.410818 -3.100932 1.633564
H 0.095243 0.679326 -1.968679
H -0.146684 2.085517 -0.901236
H -1.136056 1.907297 -2.365833
H -5.632763 -1.616181 1.119902
H -4.433962 -2.904527 1.422729
H -4.618086 -1.571873 2.585027
H -3.303056 2.768150 -1.743978
H -3.319808 1.504140 -2.997721
H -4.744579 1.741141 -1.955821


