%chk=000235434.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235434

0 1
O 1.008236 1.570503 -0.484185
O -1.009127 -1.569527 -0.489450
N 1.245817 0.568334 1.589981
N -1.243105 -0.575508 1.588978
N 2.343224 -0.305065 -0.401238
N -2.342361 0.306847 -0.397306
C 1.194487 -0.757340 2.261523
C 0.164867 1.475390 2.075615
C -0.161577 -1.484664 2.069351
C -1.190995 0.747253 2.266159
C 1.457424 0.626674 0.160736
C -1.456690 -0.627889 0.159815
C 2.411655 -0.398309 -1.886752
C -2.413443 0.405386 -1.882362
C 1.551890 -1.536247 -2.423858
C -1.554158 1.544887 -2.416948
H 1.383229 -0.579591 3.345715
H 2.032905 -1.395973 1.912912
H 0.058586 2.330244 1.363744
H 0.509222 1.909055 3.039807
H -0.056114 -2.336387 1.353602
H -0.504800 -1.922598 3.032018
H -1.378527 0.564822 3.349784
H -2.029800 1.387389 1.921257
H 2.526885 -1.177766 0.090883
H -2.524322 1.177938 0.098230
H 2.092516 0.577882 -2.326856
H 3.482150 -0.543030 -2.156078
H -2.095523 -0.569359 -2.326532
H -3.484356 0.551538 -2.149218
H 1.939766 -2.522578 -2.150224
H 0.517348 -1.485860 -2.034005
H 1.482736 -1.500631 -3.516231
H -1.941930 2.530405 -2.140271
H -0.519315 1.493461 -2.028031
H -1.485799 1.512314 -3.509467


%chk=000235434-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235434

0 1
O 1.205273 1.625848 -0.564151
O -1.207739 -1.623047 -0.572887
N 1.199447 0.531308 1.515630
N -1.193204 -0.536691 1.510784
N 2.326610 -0.409692 -0.365727
N -2.325903 0.413035 -0.362916
C 1.168532 -0.734684 2.274515
C 0.189325 1.490701 2.008014
C -0.183329 -1.499615 1.996593
C -1.163458 0.724085 2.277956
C 1.554868 0.624020 0.144848
C -1.553575 -0.623438 0.141132
C 2.615997 -0.514152 -1.806990
C -2.621131 0.521998 -1.802646
C 1.930541 -1.741184 -2.446102
C -1.933775 1.747790 -2.442065
H 1.251539 -0.476826 3.347682
H 2.038128 -1.375000 2.050973
H 0.074192 2.259708 1.227750
H 0.544039 1.972802 2.939766
H -0.066807 -2.261847 1.209894
H -0.538792 -1.990006 2.923771
H -1.248559 0.459428 3.349332
H -2.032429 1.366018 2.056778
H 2.549611 -1.218710 0.211698
H -2.543980 1.221282 0.217455
H 2.248002 0.420862 -2.260761
H 3.712428 -0.554100 -1.963185
H -2.258676 -0.413346 -2.260166
H -3.718078 0.566554 -1.953873
H 2.331003 -2.688390 -2.035678
H 0.843694 -1.719070 -2.253295
H 2.104767 -1.750179 -3.538030
H -2.329134 2.695652 -2.028276
H -0.846302 1.721432 -2.253427
H -2.112122 1.759456 -3.533301


