%chk=000259137.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259137

0 1
O -4.423119 -0.891131 0.742315
O -0.764573 -2.017992 -1.559502
O -5.296167 3.658872 0.162804
N -1.433509 -0.100289 -0.549606
N -3.259185 -2.574853 -0.231767
N -6.032926 1.579071 0.713282
N -3.832313 -3.588382 0.577606
N -7.381423 1.970836 0.906276
N 4.856851 0.001427 0.937523
N 7.024998 0.425585 0.558202
N 5.756887 0.447968 0.146736
C -2.823151 -0.265951 -1.024988
C -3.546078 1.085291 -1.145562
C -3.653917 1.871958 0.165471
C -3.574787 -1.232097 -0.074786
C -0.449362 -1.036790 -0.897636
C -5.036200 2.476475 0.333206
C 0.927754 -0.733089 -0.425376
C 1.184119 -0.358282 0.903778
C 1.986050 -0.870720 -1.336284
C 2.486143 -0.097922 1.317670
C 3.293959 -0.605351 -0.934832
C 3.548686 -0.215211 0.394165
C 7.434873 0.095429 1.948873
C 7.904136 1.389355 -0.156838
H -2.794334 -0.744867 -2.051758
H -3.032034 1.706913 -1.909338
H -4.559016 0.892518 -1.565084
H -2.913761 2.698701 0.189942
H -3.427528 1.223458 1.041631
H -1.220134 0.733910 -0.011836
H -2.469746 -2.917442 -0.813883
H 0.366507 -0.285295 1.621928
H 1.780404 -1.192295 -2.360585
H -5.867922 0.570297 0.870062
H 2.697958 0.186679 2.349042
H 4.116924 -0.705891 -1.642631
H -3.780508 -3.320886 1.572000
H -4.838468 -3.661998 0.365374
H -7.720074 2.466183 0.068180
H -7.431665 2.663323 1.668276
H 6.924146 -0.831212 2.277567
H 8.519475 -0.082332 1.989941
H 7.168167 0.887268 2.668209
H 7.507350 1.615676 -1.164536
H 8.014235 2.341304 0.388528
H 8.899582 0.929682 -0.285457


%chk=000259137-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000259137

0 1
O -4.606854 -1.235457 0.221038
O -0.662261 -1.458701 -2.018885
O -5.458380 3.282112 1.545236
N -1.518472 0.171036 -0.612535
N -3.068309 -2.417575 -1.050866
N -6.048466 1.043522 1.238022
N -3.495015 -3.680948 -0.545521
N -7.406694 1.210676 1.637777
N 4.877584 0.730691 0.638935
N 7.030633 0.176681 0.860643
N 5.804966 -0.187216 0.414329
C -2.902185 0.033930 -1.119513
C -3.728417 1.295548 -0.795678
C -3.750575 1.686149 0.719446
C -3.609482 -1.250666 -0.584988
C -0.455629 -0.530512 -1.152338
C -5.150795 2.096440 1.208295
C 0.917734 -0.182789 -0.683237
C 1.235620 1.035552 -0.022800
C 1.959451 -1.119084 -0.929982
C 2.551926 1.296514 0.395458
C 3.274224 -0.866938 -0.513423
C 3.587610 0.349538 0.164347
C 7.274316 1.468990 1.525436
C 8.108735 -0.795757 0.659517
H -2.822201 -0.083660 -2.218012
H -3.331853 2.137713 -1.391003
H -4.758671 1.110328 -1.144975
H -3.087552 2.545018 0.918792
H -3.417370 0.830637 1.337005
H -1.365993 0.792747 0.183337
H -2.166977 -2.376611 -1.572777
H 0.473367 1.808112 0.136089
H 1.702210 -2.043052 -1.458093
H -5.747533 0.099630 0.943329
H 2.811511 2.234018 0.897242
H 4.070136 -1.593141 -0.700447
H -4.037444 -3.520843 0.317069
H -4.058357 -4.180152 -1.248677
H -7.869755 1.904069 1.030990
H -7.447002 1.531454 2.616952
H 6.647677 1.560575 2.431091
H 8.340649 1.530088 1.793036
H 7.000422 2.303854 0.855378
H 7.683847 -1.670414 0.144872
H 8.918246 -0.366954 0.039485
H 8.538680 -1.117255 1.626905


