%chk=000296083.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000296083

0 1
O 3.297709 -0.379422 -0.233598
N -3.040537 -0.239645 0.485458
C -2.218754 0.917694 -0.009474
C -2.452648 2.116654 0.946415
C -0.751713 0.532220 -0.027903
C -2.030893 3.409632 0.305900
C -3.031685 -1.387923 -0.476670
C 0.061262 0.952133 -1.097390
C -0.189964 -0.213711 1.014899
C -4.114237 -2.375650 -0.117560
C -2.973183 4.205968 -0.363151
C -0.692614 3.827976 0.370074
C 1.412447 0.629052 -1.130242
C 1.166709 -0.555671 1.005809
C 1.952792 -0.129053 -0.070384
C -4.201808 -2.882209 1.188326
C -5.026461 -2.805950 -1.091761
C -2.579809 5.409117 -0.955631
C -0.304720 5.030946 -0.224524
C -1.246543 5.824751 -0.887509
C 3.975547 -1.151734 0.804727
C -5.193851 -3.809577 1.514526
C -6.015118 -3.737663 -0.761117
C -6.101415 -4.240179 0.540622
C 5.399669 -1.284436 0.338710
C 5.724812 -1.183846 -1.020463
C 6.405064 -1.534936 1.285081
C 7.052347 -1.332489 -1.431612
C 7.728987 -1.688522 0.866081
C 8.054857 -1.587263 -0.490827
H -2.532001 1.225026 -1.045098
H -1.900398 1.948808 1.894989
H -3.518082 2.165996 1.249600
H -4.009017 0.064117 0.644698
H -2.033121 -1.884070 -0.393976
H -3.123684 -1.064290 -1.537541
H -0.367468 1.544766 -1.906774
H -0.824166 -0.540443 1.843374
H -4.012328 3.890492 -0.420596
H 0.045838 3.207348 0.877285
H 2.057587 0.946647 -1.945327
H 1.578789 -1.137598 1.821607
H -3.493851 -2.541543 1.944825
H -4.968031 -2.420015 -2.107221
H -3.315112 6.024472 -1.471069
H 0.734994 5.350279 -0.171510
H -0.942629 6.761898 -1.348006
H 3.484042 -2.140163 0.884529
H 3.891464 -0.597575 1.757407
H -5.259574 -4.199077 2.528948
H -6.719679 -4.071538 -1.520741
H -6.871843 -4.964442 0.795830
H 4.936731 -0.979648 -1.748179
H 6.160770 -1.609516 2.342469
H 7.304166 -1.249938 -2.487768
H 8.509498 -1.885242 1.599224
H 9.087559 -1.705315 -0.812889


%chk=000296083-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000296083

0 1
O 3.247340 -0.241919 -0.353822
N -3.214935 -0.105929 0.261393
C -2.384127 1.041454 -0.175661
C -2.647756 2.227917 0.813477
C -0.902253 0.659607 -0.217421
C -2.081170 3.552913 0.330173
C -3.269308 -1.245705 -0.680052
C -0.051673 1.147449 -1.241520
C -0.337185 -0.152351 0.793314
C -4.092085 -2.404643 -0.129323
C -2.815390 4.355544 -0.582034
C -0.806126 4.006657 0.753537
C 1.320746 0.835100 -1.258822
C 1.036623 -0.480383 0.792902
C 1.869415 0.016577 -0.241750
C -4.049455 -2.736546 1.249430
C -4.892889 -3.190663 -0.995468
C -2.292313 5.577996 -1.059519
C -0.278213 5.229237 0.279925
C -1.019388 6.019756 -0.628532
C 3.854800 -1.128955 0.647617
C -4.785754 -3.834391 1.747568
C -5.625868 -4.293611 -0.500651
C -5.574859 -4.619618 0.874294
C 5.310116 -1.355077 0.281655
C 5.758825 -1.244207 -1.056523
C 6.230561 -1.729284 1.292140
C 7.108915 -1.510364 -1.378366
C 7.578375 -2.003032 0.968915
C 8.022146 -1.894706 -0.369455
H -2.672821 1.394595 -1.198418
H -2.228478 1.950126 1.797453
H -3.746737 2.322340 0.937460
H -4.158034 0.193770 0.543947
H -2.225710 -1.578189 -0.850632
H -3.668328 -0.956501 -1.683827
H -0.467460 1.784644 -2.031291
H -0.996563 -0.545359 1.575802
H -3.808659 4.023856 -0.911895
H -0.223260 3.394291 1.451626
H 1.981717 1.210487 -2.046020
H 1.437226 -1.114882 1.589436
H -3.439744 -2.119230 1.917889
H -4.942575 -2.938575 -2.062457
H -2.876054 6.187202 -1.759252
H 0.709057 5.563708 0.618387
H -0.611959 6.969354 -0.993661
H 3.302390 -2.094010 0.657025
H 3.771499 -0.675516 1.657120
H -4.743954 -4.079491 2.815310
H -6.239293 -4.892124 -1.183943
H -6.145670 -5.471587 1.260783
H 5.049538 -0.935779 -1.829923
H 5.896709 -1.805339 2.335072
H 7.447928 -1.417273 -2.416390
H 8.280568 -2.291598 1.759131
H 9.068254 -2.102042 -0.621252


