%chk=000228916.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228916

0 1
O -1.722505 0.958945 -0.359964
O -1.672818 -1.147579 0.612934
O -4.564857 -1.849436 -0.886606
O -4.531103 0.083150 -1.852814
N -4.341311 -0.653588 -0.904698
C -3.856919 -0.011756 0.416389
C -3.038937 1.263120 0.114880
C -2.978970 -1.029678 1.184899
C -0.953816 0.094884 0.495364
C -5.126788 0.308541 1.236697
C 0.304449 -0.240877 -0.293667
C 1.579234 0.135365 0.464533
C 2.830091 -0.214241 -0.353477
C 4.113350 0.160258 0.399990
C 5.363982 -0.189100 -0.418085
C -6.003774 1.390860 0.620773
C 6.648243 0.184432 0.334004
C 7.899951 -0.164819 -0.483484
C 9.181656 0.204683 0.259956
H -2.967351 1.903104 1.011624
H -3.463920 1.839936 -0.736616
H -3.368267 -2.068520 1.096207
H -2.888638 -0.748585 2.248874
H -0.826248 0.556787 1.490237
H -5.720233 -0.622936 1.370696
H -4.826639 0.614811 2.260466
H 0.295062 -1.326779 -0.540758
H 0.260191 0.277404 -1.278464
H 1.576053 1.218501 0.697717
H 1.610591 -0.391545 1.438668
H 2.800437 0.307997 -1.329776
H 2.835012 -1.295968 -0.591410
H 4.110016 1.241731 0.636969
H 4.144745 -0.362776 1.375287
H 5.333840 0.333470 -1.393755
H 5.368340 -1.270420 -0.656092
H -5.543433 2.384140 0.677909
H -6.970287 1.453402 1.137974
H -6.223842 1.200529 -0.440566
H 6.680643 -0.337599 1.309537
H 6.646270 1.265430 0.572060
H 7.870185 0.358333 -1.459346
H 7.904598 -1.246703 -0.720943
H 9.227444 1.277878 0.477039
H 10.068950 -0.048357 -0.331113
H 9.261725 -0.326328 1.215252


%chk=000228916-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228916

0 1
O -2.079655 1.113743 -0.933078
O -1.283545 -0.483269 0.680460
O -4.073125 -2.380892 0.124817
O -4.426257 -0.942650 -1.599566
N -4.082066 -1.203468 -0.392273
C -3.740394 -0.014142 0.565739
C -3.381736 1.238272 -0.264296
C -2.531736 -0.425636 1.443966
C -1.013733 0.801137 0.020911
C -4.998582 0.193995 1.459307
C 0.295528 0.681250 -0.743879
C 1.519050 0.511957 0.183865
C 2.832293 0.300326 -0.601529
C 4.072542 0.189087 0.313204
C 5.381962 -0.082224 -0.461482
C -6.295315 0.555548 0.703585
C 6.627303 -0.161259 0.450038
C 7.934281 -0.451610 -0.322919
C 9.175126 -0.517483 0.593648
H -3.373938 2.107023 0.431468
H -4.106257 1.410746 -1.071270
H -2.680851 -1.432199 1.861009
H -2.445983 0.318076 2.267427
H -0.992005 1.598129 0.807430
H -5.152257 -0.730857 2.047614
H -4.754128 0.997975 2.180863
H 0.204972 -0.183951 -1.426555
H 0.405648 1.586088 -1.370642
H 1.621408 1.408267 0.831815
H 1.345844 -0.349596 0.856826
H 2.977848 1.137691 -1.316078
H 2.744518 -0.620217 -1.215097
H 4.181040 1.126065 0.899081
H 3.910617 -0.622474 1.053184
H 5.532931 0.715595 -1.218907
H 5.281199 -1.031845 -1.027643
H -6.206911 1.515564 0.165117
H -7.129067 0.652277 1.421086
H -6.573579 -0.220122 -0.030832
H 6.473323 -0.950156 1.216085
H 6.736903 0.793508 1.006260
H 8.082852 0.332486 -1.093486
H 7.826802 -1.409399 -0.871992
H 9.322328 0.439106 1.129985
H 10.095342 -0.727022 0.017681
H 9.063860 -1.313341 1.354353


