%chk=000239723.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239723

0 1
O -0.581240 -1.148430 -0.097909
O 2.718742 -3.374471 -0.090374
O 0.556981 -3.262594 -0.074936
O 4.466976 2.553742 -0.513435
O 5.415145 0.608198 -0.454258
N 1.663146 -2.762209 -0.112018
N 4.437764 1.335439 -0.449585
C -3.429452 0.818808 1.225020
C -4.283194 0.793807 0.092696
C -1.797158 -0.402808 -0.042743
C -2.168095 0.213517 1.152917
C 0.589683 -0.476490 -0.183491
C -3.863897 0.160568 -1.086117
C -2.607008 -0.446975 -1.173694
C 1.752661 -1.295055 -0.191539
C -3.858083 1.477477 2.493607
C -5.632043 1.432502 0.145474
C 0.705291 0.931675 -0.269199
C 3.017383 -0.693138 -0.278713
C 3.114415 0.697892 -0.359165
C 1.954550 1.512658 -0.357155
H -1.498184 0.200874 2.010698
H -4.525571 0.135596 -1.953416
H -2.278398 -0.953080 -2.079716
H -3.092020 1.431385 3.279641
H -4.094451 2.540475 2.337026
H -4.762390 1.001558 2.903737
H -5.561452 2.505180 0.378465
H -6.181134 1.347185 -0.802051
H -6.262509 0.971341 0.920828
H -0.195280 1.550022 -0.270628
H 3.926006 -1.323255 -0.282784
H 2.070613 2.603505 -0.426684


%chk=000239723-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239723

0 1
O -0.616514 -1.192926 -0.235918
O 2.739085 -3.350036 0.521822
O 0.835869 -3.424308 -0.737821
O 4.487941 2.651881 -0.427652
O 5.502709 0.611745 -0.264841
N 1.774904 -2.788035 -0.132053
N 4.455373 1.362648 -0.339376
C -3.432172 0.838244 1.212465
C -4.350594 0.814862 0.114931
C -1.844901 -0.448276 -0.129649
C -2.176846 0.197953 1.077366
C 0.595491 -0.531547 -0.286355
C -3.982949 0.144260 -1.077713
C -2.731214 -0.496682 -1.216623
C 1.795663 -1.306298 -0.211122
C -3.795287 1.527793 2.514114
C -5.707418 1.485159 0.226521
C 0.707694 0.882290 -0.394590
C 3.058564 -0.689994 -0.208238
C 3.129738 0.709324 -0.323034
C 1.963267 1.502979 -0.423180
H -1.469916 0.186900 1.914268
H -4.690236 0.117494 -1.914168
H -2.452465 -1.030085 -2.129539
H -2.979843 1.453623 3.252600
H -4.014369 2.601155 2.356720
H -4.702294 1.083283 2.966410
H -5.612400 2.565582 0.447403
H -6.282506 1.381053 -0.708493
H -6.311011 1.046779 1.044317
H -0.203595 1.482180 -0.459198
H 3.966906 -1.291534 -0.120327
H 2.061121 2.587431 -0.518546


