%chk=000223190.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000223190

0 1
O 5.232777 -1.643736 0.469814
O 2.152545 2.181603 0.649029
O -0.023572 3.225972 1.851555
N 3.077061 -0.127852 -0.626673
C -3.089331 0.396812 -0.773372
C -3.196100 -1.151832 -0.822872
C -3.108185 -1.989688 0.483773
C -1.681396 0.854188 -0.377913
C -3.330816 0.934554 -2.208552
C -4.179018 0.989831 0.133046
C -2.888160 -3.464368 0.059792
C -4.421683 -1.917698 1.287176
C -1.939244 -1.562183 1.383280
C -0.571617 0.297092 -1.029397
C 0.744054 0.697624 -0.738847
C -1.477227 1.852866 0.589683
C 1.890747 0.103857 -1.519185
C 0.940762 1.679209 0.238381
C -0.178502 2.254961 0.895040
C 2.819985 -1.251878 0.334160
C 4.308220 -0.412473 -1.435718
C 4.043069 -1.403802 1.250143
C 5.494626 -0.586220 -0.472839
H -4.156166 -1.405200 -1.315813
H -2.410761 -1.519593 -1.514697
H -2.626925 0.510945 -2.930487
H -3.212491 2.023594 -2.241968
H -4.341862 0.704658 -2.557276
H -4.168935 2.085027 0.122665
H -5.175446 0.673043 -0.194843
H -4.061531 0.657474 1.174250
H -1.946392 -3.592175 -0.480745
H -3.695773 -3.823115 -0.584394
H -2.851845 -4.124220 0.932249
H -5.290964 -2.148205 0.665583
H -4.415967 -2.625942 2.121609
H -4.573777 -0.918048 1.713981
H -1.837241 -2.224959 2.247840
H -0.988373 -1.573942 0.841014
H -2.076194 -0.545501 1.769539
H -0.731922 -0.473439 -1.783293
H -2.303672 2.327988 1.115717
H 1.567408 -0.818453 -2.051305
H 2.186210 0.834875 -2.310664
H 2.609513 -2.214410 -0.179495
H 1.918633 -0.998726 0.936273
H 4.494826 0.446913 -2.114223
H 4.204763 -1.319173 -2.070330
H 4.200046 -0.511981 1.882101
H 3.985012 -2.310835 1.877652
H 6.400949 -0.947872 -0.990253
H 5.715269 0.343886 0.079998
H 2.915536 1.592071 0.312327
H 0.947381 3.428974 1.987385


%chk=000223190-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000223190

0 1
O 5.481203 -1.465448 0.448055
O 2.320364 1.978266 0.603961
O 0.199081 3.117559 1.907457
N 3.179993 -0.087702 -0.670538
C -3.098372 0.402559 -0.760081
C -3.298135 -1.159275 -0.762662
C -3.335978 -2.027088 0.546861
C -1.649871 0.811792 -0.383932
C -3.346458 0.875097 -2.232391
C -4.154776 1.115534 0.122322
C -3.138609 -3.505371 0.095760
C -4.713228 -1.942687 1.265077
C -2.209682 -1.670566 1.551874
C -0.545100 0.239870 -1.071360
C 0.787402 0.617402 -0.785841
C -1.381875 1.791598 0.607608
C 1.978199 0.080424 -1.566201
C 1.029177 1.576376 0.228436
C -0.060898 2.165317 0.913539
C 3.017923 -1.242978 0.270385
C 4.454946 -0.216600 -1.438691
C 4.229087 -1.320530 1.211538
C 5.640785 -0.323626 -0.464216
H -4.249150 -1.356689 -1.303016
H -2.500300 -1.582644 -1.406371
H -2.674483 0.358317 -2.941863
H -3.165165 1.961469 -2.325410
H -4.390195 0.668032 -2.537523
H -4.131507 2.208679 -0.044296
H -5.166920 0.758243 -0.140391
H -4.001109 0.934507 1.200038
H -2.136479 -3.653830 -0.349906
H -3.894162 -3.796697 -0.659362
H -3.235380 -4.194646 0.956009
H -5.537503 -2.199765 0.572086
H -4.745667 -2.659422 2.108276
H -4.913347 -0.939213 1.674408
H -2.232954 -2.371840 2.408752
H -1.212815 -1.735965 1.078606
H -2.317821 -0.646341 1.948079
H -0.715615 -0.509897 -1.853638
H -2.185503 2.273635 1.169352
H 1.725045 -0.874193 -2.076916
H 2.275806 0.808027 -2.348560
H 2.929019 -2.191153 -0.305081
H 2.088204 -1.094988 0.848517
H 4.574371 0.676474 -2.080109
H 4.425004 -1.117495 -2.091943
H 4.275953 -0.408891 1.845916
H 4.170406 -2.211525 1.856678
H 6.580565 -0.507197 -1.009633
H 5.732236 0.617595 0.120909
H 2.954633 1.244953 0.163745
H 1.187961 3.223035 1.965588


