%chk=000210827.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000210827

0 1
O -5.080818 0.060611 -0.431792
O 1.434266 -0.685642 2.028324
N -2.348076 -0.040929 0.366912
C -0.087590 0.776427 0.981806
C -1.204384 -0.244439 1.316766
C 1.277556 0.045608 0.790428
C -3.154819 -1.296584 0.226844
C -3.233147 1.080418 0.820052
C -4.241078 -1.050287 -0.841566
C -4.377453 1.295558 -0.196168
C 0.016367 1.840661 2.076510
C 1.325756 -0.945569 -0.373789
C 2.421065 1.046370 0.632793
C -5.215655 -2.213742 -0.960687
C -3.899827 1.911150 -1.507567
C 2.395888 -1.854726 -0.435591
C 2.624498 1.691934 -0.595176
C 0.361828 -0.957924 -1.388432
C 3.259919 1.337634 1.716581
C 2.490124 -2.769387 -1.485588
C 3.665314 2.613437 -0.737411
C 0.458509 -1.873748 -2.441889
C 4.301902 2.257379 1.570350
C 1.518935 -2.781522 -2.492975
C 4.507087 2.895975 0.343411
H -0.327508 1.283213 0.010691
H -0.810658 -1.280151 1.203524
H -1.497565 -0.166258 2.384192
H -3.623081 -1.623553 1.178761
H -2.481052 -2.114063 -0.106138
H -2.616164 2.001780 0.889821
H -3.669182 0.903174 1.826743
H -3.782257 -0.789554 -1.820119
H -5.191969 1.907914 0.259388
H -0.956622 2.296101 2.286215
H 0.394526 1.404876 3.011863
H 0.704002 2.647081 1.794439
H -5.995615 -1.987451 -1.700159
H -4.713183 -3.136751 -1.263083
H -5.736539 -2.397263 -0.011829
H -4.667389 1.804947 -2.283746
H -3.676030 2.975781 -1.395589
H -2.988566 1.420306 -1.874051
H 2.203453 -1.289925 1.988884
H 3.165029 -1.840904 0.336386
H 1.975968 1.470973 -1.442745
H -0.483204 -0.262412 -1.362572
H 3.085139 0.852374 2.678422
H 3.322017 -3.470446 -1.522807
H 3.821445 3.110828 -1.693064
H -0.299155 -1.876088 -3.223927
H 4.952118 2.478515 2.414799
H 1.591851 -3.493488 -3.312556
H 5.318524 3.611884 0.229807


%chk=000210827-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000210827

0 1
O -5.136945 0.190495 -0.483832
O 1.466728 -0.845465 2.017421
N -2.382353 -0.107069 0.351863
C -0.077459 0.723784 1.029568
C -1.233673 -0.294256 1.282822
C 1.296299 0.000912 0.799553
C -3.328214 -1.252883 0.408314
C -3.120296 1.161386 0.582302
C -4.427922 -1.098678 -0.660019
C -4.221760 1.358631 -0.482605
C 0.014661 1.742812 2.191143
C 1.345770 -0.913638 -0.448873
C 2.442161 1.037235 0.714737
C -5.503125 -2.182872 -0.572227
C -3.666590 1.662166 -1.887988
C 2.560955 -1.606688 -0.709786
C 2.608862 1.813666 -0.460938
C 0.259195 -1.098762 -1.339880
C 3.316190 1.253987 1.806438
C 2.682365 -2.479432 -1.810628
C 3.626179 2.788904 -0.541217
C 0.384828 -1.966556 -2.450653
C 4.341815 2.224250 1.724622
C 1.588971 -2.664648 -2.689512
C 4.500268 2.997268 0.552240
H -0.302440 1.272021 0.092417
H -0.863067 -1.325118 1.152305
H -1.563375 -0.215510 2.347012
H -3.811629 -1.337289 1.415270
H -2.763157 -2.185920 0.221012
H -2.415464 2.010642 0.533852
H -3.595161 1.167336 1.596408
H -3.946894 -1.114781 -1.662030
H -4.880072 2.187153 -0.161870
H -0.980169 2.179281 2.394295
H 0.359192 1.241159 3.112664
H 0.710780 2.568973 1.968282
H -6.273733 -2.015504 -1.343945
H -5.063520 -3.185465 -0.725312
H -5.995828 -2.157561 0.415984
H -4.485799 1.644293 -2.627692
H -3.207703 2.668468 -1.906333
H -2.894716 0.931575 -2.184574
H 2.109567 -1.570244 1.807351
H 3.436201 -1.429430 -0.070020
H 1.950836 1.642724 -1.321530
H -0.694699 -0.584182 -1.165304
H 3.174322 0.664661 2.717903
H 3.629499 -2.999731 -1.992837
H 3.743335 3.379866 -1.456885
H -0.465110 -2.095629 -3.131043
H 5.012458 2.379321 2.577788
H 1.679717 -3.335565 -3.551140
H 5.294214 3.750007 0.488804


