%chk=000290319.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000290319

0 1
O -2.338091 1.310777 2.492438
O -1.159452 -2.843430 1.304759
O -0.877571 -1.377940 -0.389575
O -4.022722 0.369346 -0.445684
O -3.139421 1.457474 -2.224004
N -0.799385 1.473762 0.843209
N 2.522758 -0.033862 0.871518
C 0.193931 0.617803 1.579087
C -0.339335 1.808099 -0.545314
C 1.373709 0.560197 0.622254
C 1.056949 1.262904 -0.609257
C -0.351000 -0.768048 1.945663
C -2.076691 1.693844 1.359279
C 1.989138 1.325749 -1.600585
C 3.261234 0.692628 -1.376975
C 3.493740 0.026348 -0.138737
C -3.076034 2.452690 0.512304
C -0.802878 -1.614448 0.795435
C 4.299548 0.707865 -2.354212
C -4.320667 1.606897 0.258187
C 4.751476 -0.609068 0.103856
C 5.501453 0.089967 -2.100125
C 5.728822 -0.573472 -0.860956
C -1.727786 -3.837177 0.396360
C -3.225373 -3.626449 0.309430
C -3.429087 0.409966 -1.689015
C -3.212819 -0.978426 -2.162464
H 0.475894 1.148637 2.531263
H -0.367319 2.909162 -0.696073
H -0.995374 1.331621 -1.313822
H 0.421726 -1.321521 2.531799
H -1.214992 -0.637895 2.655614
H 1.802199 1.830815 -2.546642
H -2.664522 2.808095 -0.458142
H -3.363887 3.376190 1.063727
H 4.121263 1.215778 -3.301370
H -4.757668 1.206658 1.197117
H -5.071645 2.160572 -0.331594
H 4.902811 -1.111639 1.060751
H 6.298466 0.098059 -2.842920
H 6.692972 -1.052909 -0.692195
H -1.451695 -4.776946 0.909631
H -1.223219 -3.762803 -0.583167
H -3.666050 -3.495662 1.308342
H -3.477944 -2.718111 -0.266741
H -3.725604 -4.477265 -0.166202
H -3.580787 -1.121936 -3.186740
H -2.124588 -1.211300 -2.156150
H -3.680982 -1.734095 -1.499763


%chk=000290319-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000290319

0 1
O -2.247199 1.353918 2.571791
O -1.185695 -2.911066 1.388785
O -0.819233 -1.397037 -0.347819
O -3.975546 0.294193 -0.456148
O -3.768336 1.544708 -2.414395
N -0.769561 1.364261 0.788535
N 2.605683 0.006848 0.890180
C 0.248196 0.583804 1.554712
C -0.332047 1.706891 -0.598417
C 1.430099 0.573745 0.601450
C 1.101103 1.230827 -0.629354
C -0.214083 -0.825398 1.993168
C -1.980800 1.677622 1.365536
C 2.064295 1.313695 -1.625804
C 3.354606 0.730861 -1.377395
C 3.586209 0.079446 -0.098897
C -3.022865 2.413259 0.517903
C -0.750328 -1.693628 0.870842
C 4.414073 0.762420 -2.340070
C -4.278195 1.546290 0.301627
C 4.861126 -0.511406 0.164020
C 5.650733 0.176752 -2.056669
C 5.875312 -0.464120 -0.796761
C -1.866342 -3.855879 0.449449
C -3.382155 -3.649429 0.524173
C -3.733282 0.435589 -1.829772
C -3.412132 -0.902232 -2.453333
H 0.495807 1.128949 2.486986
H -0.414989 2.794786 -0.784681
H -0.945568 1.175653 -1.349562
H 0.645439 -1.340399 2.461596
H -1.001198 -0.724071 2.760538
H 1.864056 1.797411 -2.589152
H -2.645930 2.761017 -0.455493
H -3.340688 3.299490 1.099561
H 4.240674 1.252904 -3.305744
H -4.671318 1.180285 1.262014
H -5.044120 2.117698 -0.251634
H 5.006096 -0.994291 1.135276
H 6.455545 0.205285 -2.799224
H 6.849946 -0.918873 -0.588605
H -1.564238 -4.852915 0.807997
H -1.476604 -3.683851 -0.569181
H -3.747140 -3.804021 1.553910
H -3.657606 -2.629191 0.206384
H -3.892627 -4.374743 -0.136996
H -3.315894 -0.789702 -3.542930
H -2.466649 -1.283317 -2.024725
H -4.203129 -1.635535 -2.220070


