%chk=000289913.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289913

0 1
O 4.776772 0.935623 -1.278333
O -3.481484 2.866152 -0.358683
O -1.326776 2.786532 -0.421995
O -5.250744 -2.962553 0.555986
O -6.175061 -1.022088 0.301467
N 1.063315 -0.250252 -0.032560
N -0.054592 0.564557 -0.116065
N -2.434801 2.250184 -0.302210
N -5.203252 -1.755902 0.377986
C 3.445711 -0.682359 -0.015963
C 2.606963 1.718238 -0.401227
C 2.257589 0.258087 -0.158289
C 4.393650 -0.449389 -1.210702
C 3.065493 -2.166999 0.102476
C 3.669930 1.821681 -1.513278
C 3.091941 2.357536 0.917102
C 4.267596 -3.048387 0.467420
C 2.929946 3.873188 0.911369
C 3.850902 -4.504474 0.659415
C -1.300886 -0.006427 0.001088
C -2.477348 0.815194 -0.085314
C -1.471496 -1.417769 0.211020
C -3.754482 0.222977 0.041877
C -2.716644 -1.970956 0.330476
C -3.876533 -1.142483 0.246081
H 3.979923 -0.368854 0.922687
H 1.703868 2.283167 -0.755771
H 5.368537 -0.952857 -1.071434
H 3.943639 -0.761993 -2.167799
H 2.601698 -2.520254 -0.839014
H 2.275791 -2.286521 0.874283
H 4.164921 2.811632 -1.523569
H 3.236022 1.607653 -2.505664
H 4.157926 2.090301 1.080766
H 2.534518 1.929754 1.774192
H 5.043669 -2.987248 -0.320677
H 4.746304 -2.673176 1.393815
H 3.294658 4.310131 1.849970
H 1.881175 4.176556 0.802418
H 3.495006 4.344808 0.098707
H 4.713355 -5.132516 0.912389
H 3.399281 -4.921339 -0.248310
H 3.119772 -4.614929 1.468841
H 0.038383 1.603781 -0.263640
H -0.574017 -2.043814 0.274114
H -4.655054 0.861534 -0.023930
H -2.854082 -3.048929 0.491783


%chk=000289913-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289913

0 1
O 4.820967 1.011856 -1.234304
O -3.481415 2.967345 -0.161479
O -1.208355 2.831815 -0.214011
O -5.346130 -2.999648 0.408910
O -6.273969 -0.915362 0.266541
N 1.075884 -0.325964 -0.007637
N -0.037866 0.513633 -0.070889
N -2.399700 2.271129 -0.133616
N -5.257005 -1.712612 0.298353
C 3.477935 -0.699507 0.005401
C 2.566368 1.699567 -0.402002
C 2.270515 0.223071 -0.142913
C 4.481292 -0.412906 -1.151436
C 3.122295 -2.201502 0.110867
C 3.630511 1.808695 -1.533080
C 3.030747 2.417918 0.907552
C 4.332992 -3.112077 0.425977
C 2.917862 3.954524 0.815892
C 3.904895 -4.570306 0.698747
C -1.300380 -0.019601 0.019852
C -2.480148 0.818434 -0.009413
C -1.494759 -1.436145 0.146475
C -3.773967 0.259156 0.081627
C -2.769916 -1.984127 0.237279
C -3.908404 -1.127678 0.203520
H 3.997253 -0.394787 0.941025
H 1.665058 2.226563 -0.777764
H 5.438387 -0.926981 -0.977196
H 4.047986 -0.760912 -2.116098
H 2.635290 -2.532718 -0.828487
H 2.360117 -2.324409 0.903259
H 3.986686 2.846433 -1.636679
H 3.188819 1.479727 -2.499255
H 4.077520 2.125264 1.115396
H 2.419510 2.059334 1.758690
H 5.055472 -3.100951 -0.413943
H 4.872828 -2.713643 1.309594
H 3.260435 4.426002 1.754338
H 1.871446 4.268745 0.643099
H 3.536552 4.364969 -0.002939
H 4.777830 -5.214516 0.908826
H 3.372637 -4.996746 -0.172324
H 3.224219 -4.627932 1.568719
H -0.000379 1.549622 -0.151272
H -0.601508 -2.062519 0.168913
H -4.652608 0.908700 0.057060
H -2.922801 -3.062158 0.334127


