%chk=000244839.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000244839

0 1
O -0.027166 0.702756 1.699586
O -2.470238 0.199141 2.276943
O -1.180117 0.630707 -1.719706
O -3.912424 1.878674 0.836034
O 0.193730 -1.452588 -1.798613
O -4.273162 -1.402845 -0.658758
O -6.274920 -0.330678 -1.647442
N 2.538488 -0.049712 0.782671
N 2.949657 -0.836773 -1.337023
C -0.946068 0.983774 0.630419
C -2.238726 0.162340 0.863124
C -0.203347 0.633088 -0.681049
C -3.451928 0.728592 0.098934
C 0.522861 -0.745583 -0.603095
C -4.636140 -0.269147 0.124154
C 1.999911 -0.559621 -0.420588
C -5.935139 0.353477 -0.436194
C 3.930271 -0.003123 0.602145
C 4.173810 -0.504122 -0.727621
C 4.984026 0.409499 1.440018
C 5.494505 -0.592139 -1.215322
C 6.265396 0.310880 0.929284
C 6.517661 -0.183575 -0.380797
H -1.151443 2.077255 0.672827
H -2.094381 -0.923589 0.642160
H 0.503343 1.453415 -0.951643
H -3.172121 1.008481 -0.944731
H 0.096208 -1.393866 0.205809
H -4.774373 -0.690718 1.147445
H -5.809258 1.405413 -0.755889
H -6.767632 0.295008 0.283850
H -0.543521 0.425933 2.515669
H -3.010911 1.006393 2.507328
H -1.216439 -0.274984 -2.162320
H 2.006144 0.273995 1.581335
H -3.551901 2.700957 0.444063
H 0.901347 -1.337180 -2.492639
H -4.377662 -1.197831 -1.628861
H 4.789062 0.785011 2.439489
H 5.675994 -0.973663 -2.218600
H -6.577195 -1.247041 -1.440093
H 7.116059 0.617114 1.538318
H 7.550938 -0.236824 -0.722219


%chk=000244839-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000244839

0 1
O 0.019082 1.368616 1.206616
O -2.037392 0.717971 2.397583
O -1.396014 -0.347696 -1.774935
O -4.442522 0.809753 1.746442
O 0.339051 -2.125153 -1.334096
O -3.912995 0.472850 -1.906335
O -6.310357 1.260808 -0.204546
N 2.439041 0.286077 0.578095
N 2.845266 -1.504883 -0.777352
C -1.024007 1.026398 0.223776
C -2.209647 0.328603 0.988236
C -0.359497 0.173328 -0.878051
C -3.620454 0.794223 0.517255
C 0.446840 -1.058402 -0.328738
C -4.255302 -0.088989 -0.601224
C 1.912544 -0.760173 -0.154414
C -5.786323 -0.094505 -0.500435
C 3.834436 0.224637 0.435624
C 4.078160 -0.910057 -0.419668
C 4.882236 1.017137 0.947403
C 5.399944 -1.264272 -0.769790
C 6.194989 0.648289 0.583826
C 6.449991 -0.473498 -0.259429
H -1.396327 1.965315 -0.234178
H -2.135676 -0.773563 0.915327
H 0.327715 0.818732 -1.461757
H -3.562563 1.825768 0.111523
H -0.002240 -1.416914 0.616225
H -3.897835 -1.138101 -0.515160
H -6.129053 -0.717305 0.339343
H -6.208067 -0.475517 -1.448331
H -0.485915 1.385829 2.083279
H -2.968290 0.877112 2.743579
H -1.020602 -1.222945 -2.107729
H 1.812772 0.966526 1.043951
H -5.311263 1.232524 1.485560
H 1.290898 -2.371931 -1.568308
H -2.937070 0.262532 -2.066351
H 4.694719 1.878269 1.596524
H 5.592284 -2.126181 -1.415730
H -6.062555 1.852037 -0.960525
H 7.039524 1.236638 0.958971
H 7.485677 -0.723585 -0.513654


