%chk=000287801.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000287801

0 1
O 2.782875 -1.807006 0.737641
O -4.538370 0.728922 0.165893
O -3.768457 -1.402452 0.201510
N 1.519742 -0.413173 -0.621837
N -1.215857 0.193071 0.131958
N 3.593331 0.331949 0.368580
C 0.985752 0.979386 -0.704446
C -0.137912 1.211096 0.346818
C 2.085937 2.046537 -0.518760
C 0.444056 -1.445076 -0.677454
C -0.676376 -1.190171 0.345630
C 3.500722 1.457738 -0.602370
C 2.638619 -0.710882 0.213097
C -2.379231 0.461577 1.029669
C 4.961623 -0.070910 0.797863
C -3.587027 -0.229099 0.418458
C 5.826003 -0.625233 -0.332384
C -5.816348 0.303688 -0.406537
C -6.682454 -0.318833 0.668342
H 0.540600 1.069380 -1.733325
H 0.288766 1.183848 1.372537
H -0.573345 2.221762 0.193880
H 1.972646 2.556816 0.460124
H 1.967175 2.835947 -1.284839
H 0.891863 -2.452324 -0.503823
H 0.033014 -1.431929 -1.712838
H -1.507780 -1.917237 0.175920
H -0.300391 -1.362237 1.376881
H 3.719922 1.119790 -1.640466
H 4.257103 2.227525 -0.338282
H -2.255587 0.100621 2.075816
H -2.570452 1.560160 1.087339
H 5.440978 0.817096 1.264263
H 4.844494 -0.843344 1.598819
H 5.356355 -1.505350 -0.794471
H 6.003069 0.108521 -1.124403
H 6.803683 -0.947084 0.045140
H -6.206947 1.267628 -0.780299
H -5.610934 -0.388877 -1.242233
H -7.696759 -0.515843 0.301723
H -6.263790 -1.278439 1.008535
H -6.764713 0.330541 1.548831


%chk=000287801-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000287801

0 1
O 2.976461 -1.990926 0.739016
O -4.926031 0.802839 0.218961
O -3.720724 -0.901145 -0.828762
N 1.501822 -0.356182 -0.057118
N -1.255611 0.449864 -0.044031
N 3.816608 0.137258 0.245547
C 1.140808 1.022474 -0.460739
C -0.183239 1.433388 0.229580
C 2.266723 2.010729 -0.108416
C 0.427837 -1.353804 -0.230689
C -0.867728 -0.897545 0.455253
C 3.634955 1.410801 -0.471195
C 2.777253 -0.798765 0.328737
C -2.560965 0.908599 0.447225
C 5.180829 -0.297049 0.604122
C -3.746153 0.143134 -0.143671
C 6.005371 -0.801359 -0.601653
C -6.209822 0.167092 -0.215833
C -6.671293 -0.873925 0.807499
H 0.957505 1.033322 -1.558574
H 0.016756 1.538711 1.328366
H -0.494075 2.421863 -0.159964
H 2.248314 2.230544 0.975989
H 2.104940 2.958225 -0.654451
H 0.787547 -2.303976 0.195133
H 0.223166 -1.495775 -1.312201
H -1.673836 -1.607494 0.209598
H -0.718218 -0.885736 1.564867
H 3.709319 1.273228 -1.572815
H 4.448183 2.097389 -0.171329
H -2.662655 0.853056 1.562891
H -2.700112 1.973206 0.183701
H 5.695011 0.554689 1.092532
H 5.076513 -1.109705 1.341570
H 5.513695 -1.678462 -1.056845
H 6.121629 -0.020233 -1.375953
H 7.016816 -1.104740 -0.273163
H -6.907496 1.016674 -0.287419
H -6.056501 -0.286420 -1.210767
H -7.661373 -1.270391 0.514992
H -5.964250 -1.719206 0.854369
H -6.762381 -0.426147 1.812143


