%chk=000199018.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199018

0 1
O -0.563480 0.803709 1.039097
O -0.056818 0.357794 -1.120179
N -4.184860 0.533246 0.247986
C -5.174266 -0.440832 0.817126
C -4.487722 0.834370 -1.191284
C -6.592228 0.148295 0.725821
C -5.894573 1.443120 -1.309315
C -6.953018 0.501017 -0.722448
C -2.784145 0.027147 0.399683
C -1.905561 1.254958 0.673480
C 1.597977 -0.018458 0.685660
C 0.277520 0.379718 0.041146
C 2.739779 0.829001 0.161020
C 1.884003 -1.489857 0.461674
C 2.861018 1.124522 -1.204216
C 2.345698 -2.264374 1.536396
C 3.700875 1.305385 1.065491
C 1.713606 -2.078846 -0.799466
C 3.934813 1.893655 -1.659136
C 2.633470 -3.618979 1.346956
C 4.773794 2.072711 0.603562
C 2.001461 -3.433491 -0.981708
C 4.892987 2.368700 -0.757891
C 2.461934 -4.206008 0.089515
H -5.142353 -1.429754 0.311722
H -4.911461 -0.607251 1.884476
H -3.732282 1.565282 -1.553077
H -4.406832 -0.062346 -1.843024
H -6.651363 1.059040 1.355416
H -7.320252 -0.569980 1.143555
H -5.921460 2.412993 -0.773101
H -6.115949 1.664348 -2.368899
H -7.950422 0.976173 -0.761859
H -7.025582 -0.418763 -1.332821
H -2.701984 -0.677162 1.255279
H -2.401839 -0.523016 -0.488651
H -1.834089 1.934483 -0.191288
H -2.209832 1.806544 1.581505
H 1.488786 0.167253 1.795008
H 2.111990 0.758983 -1.911837
H 2.485397 -1.815896 2.518067
H 3.618410 1.078132 2.126523
H 1.350690 -1.478390 -1.637843
H 4.024073 2.122378 -2.720254
H 2.993163 -4.217437 2.182441
H 5.518537 2.440352 1.307641
H 1.867502 -3.887152 -1.962754
H 5.728885 2.966769 -1.115089
H 2.687002 -5.260685 -0.055508


%chk=000199018-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000199018

0 1
O -0.523634 0.898047 1.160924
O -0.079007 0.487547 -1.091601
N -4.206281 0.475371 0.397937
C -5.308973 -0.226649 1.102080
C -4.358559 0.394882 -1.079220
C -6.674868 0.378633 0.716716
C -5.693231 1.019374 -1.531846
C -6.882302 0.339011 -0.815259
C -2.854414 0.079776 0.852395
C -1.919672 1.303840 0.806641
C 1.662869 0.054338 0.637461
C 0.292829 0.490477 0.105322
C 2.808539 0.932177 0.104426
C 1.869906 -1.445717 0.348151
C 2.819892 1.482891 -1.202226
C 1.775010 -2.378576 1.410246
C 3.919087 1.167091 0.955419
C 2.139082 -1.917305 -0.961035
C 3.921140 2.252252 -1.642505
C 1.953191 -3.760884 1.173350
C 5.020594 1.931768 0.513858
C 2.314535 -3.297812 -1.198995
C 5.025513 2.478679 -0.790374
C 2.224183 -4.224734 -0.133777
H -5.315238 -1.322866 0.860607
H -5.145413 -0.129268 2.191604
H -3.509515 0.917581 -1.555706
H -4.316421 -0.673362 -1.420628
H -6.706738 1.429011 1.065749
H -7.481633 -0.174181 1.235715
H -5.681917 2.099669 -1.289669
H -5.790906 0.921572 -2.630206
H -7.834540 0.831431 -1.089121
H -6.956442 -0.716953 -1.149058
H -2.911455 -0.288664 1.892791
H -2.418938 -0.740288 0.234222
H -1.913600 1.764461 -0.195502
H -2.197553 2.045448 1.569801
H 1.618359 0.180399 1.732633
H 1.963655 1.321307 -1.865524
H 1.560847 -2.022665 2.425760
H 3.922134 0.743806 1.967569
H 2.211175 -1.206532 -1.790282
H 3.914176 2.675919 -2.653294
H 1.881343 -4.470876 2.005033
H 5.869523 2.103106 1.185379
H 2.523390 -3.651352 -2.215058
H 5.877272 3.075582 -1.135300
H 2.364006 -5.295364 -0.321003


