%chk=000244864.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244864

0 1
O 0.372327 -1.322538 1.094163
O -0.372592 -1.322268 -1.094309
O 3.062326 -2.201382 -1.698475
O -3.062714 -2.200959 1.698132
N 3.033261 -1.690201 0.536681
N -3.033559 -1.689556 -0.536988
C -0.000215 -2.183739 -0.000149
C 1.202727 -3.036629 -0.414050
C -1.203320 -3.036477 0.413591
C 0.117506 0.066656 0.755572
C -0.117481 0.066812 -0.755470
C 2.489521 -2.254406 -0.624320
C -2.489962 -2.254043 0.623952
C 4.177776 -0.754056 0.423293
C -4.177837 -0.753127 -0.423477
C 3.705459 0.649738 0.120794
C -3.705177 0.650517 -0.120810
C 3.365947 0.993283 -1.196868
C -3.365711 0.993869 1.196914
C 3.586878 1.600358 1.142865
C -3.586243 1.601188 -1.142793
C 2.915492 2.282406 -1.487900
C -2.914963 2.282856 1.488097
C 3.134536 2.890234 0.846203
C -3.133599 2.890923 -0.845982
C 2.798695 3.232641 -0.466927
C -2.797813 3.233141 0.467212
H 0.962738 -3.546050 -1.378123
H 1.378304 -3.848049 0.322701
H -0.963453 -3.546117 1.377579
H -1.379040 -3.847729 -0.323311
H 1.020502 0.614647 1.076484
H -0.763335 0.377359 1.346118
H -1.020359 0.615054 -1.076282
H 0.763423 0.377437 -1.345963
H 2.420980 -1.545451 1.348868
H -2.421221 -1.544842 -1.349137
H 4.758810 -0.798386 1.371550
H 4.864001 -1.114587 -0.385084
H -4.758878 -0.797186 -1.371741
H -4.864161 -1.113593 0.384847
H 3.455411 0.242805 -1.989430
H -3.455443 0.243349 1.989408
H 3.852390 1.342334 2.166411
H -3.851726 1.343317 -2.166386
H 2.662233 2.550210 -2.512863
H -2.661754 2.550517 2.513109
H 3.049702 3.630349 1.640376
H -3.048493 3.631080 -1.640087
H 2.453063 4.238796 -0.696562
H -2.451955 4.239192 0.696965


%chk=000244864-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244864

0 1
O 0.238207 -1.293595 1.161366
O -0.237867 -1.294746 -1.164511
O 3.325980 -2.585646 -1.447886
O -3.324782 -2.584173 1.449130
N 2.975679 -1.528408 0.601995
N -2.976867 -1.527612 -0.601454
C -0.000076 -2.190311 -0.001082
C 1.248639 -3.077529 -0.227784
C -1.249034 -3.076987 0.226709
C -0.127505 0.092064 0.756328
C 0.128910 0.091099 -0.761099
C 2.596311 -2.363685 -0.431670
C -2.596433 -2.362882 0.431821
C 4.250903 -0.783254 0.584328
C -4.251989 -0.782316 -0.582356
C 4.104093 0.642902 0.056925
C -4.104405 0.643915 -0.055387
C 3.925999 0.869904 -1.334141
C -3.924525 0.871126 1.335414
C 4.127224 1.753613 0.936752
C -4.128624 1.754493 -0.935350
C 3.769108 2.183198 -1.829853
C -3.766957 2.184486 1.830732
C 3.968543 3.069812 0.441825
C -3.969269 3.070762 -0.440824
C 3.787810 3.287267 -0.943330
C -3.786762 3.288422 0.944065
H 1.076512 -3.683886 -1.131974
H 1.335757 -3.767671 0.633425
H -1.076308 -3.683209 1.130869
H -1.337107 -3.767322 -0.634246
H 0.533031 0.778501 1.309905
H -1.184151 0.287398 1.006668
H -0.531121 0.777382 -1.315465
H 1.185697 0.285341 -1.011696
H 2.259350 -1.321482 1.309623
H -2.261269 -1.320752 -1.309846
H 4.659510 -0.772567 1.611337
H 4.937418 -1.359620 -0.060542
H -4.661877 -0.771782 -1.608856
H -4.937762 -1.358496 0.063475
H 3.917799 0.010907 -2.015814
H -3.915531 0.012241 2.017223
H 4.278320 1.590356 2.011745
H -4.281090 1.591073 -2.010125
H 3.641484 2.347110 -2.905928
H -3.637967 2.348561 2.906619
H 3.993534 3.920691 1.132130
H -3.995109 3.921538 -1.131226
H 3.671214 4.306130 -1.329619
H -3.669642 4.307340 1.330051


