%chk=000235213.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235213

0 1
O -2.926618 -1.583107 0.069658
O -2.650938 1.897395 -0.650805
O -5.192197 1.866186 -0.220366
O -5.527157 1.115654 2.290606
O 3.773772 -3.592750 1.072140
O -0.387025 -5.243699 0.171615
N 0.249125 -0.680337 -0.573535
N 2.880421 -0.941865 0.488607
N -0.118846 -2.973065 -0.191877
N 1.696469 -4.397174 0.607924
C -2.206759 -0.372224 -0.168669
C -1.090141 -0.572358 -1.215287
C -3.282320 0.606618 -0.697491
C 1.037145 0.474890 -0.352624
C -4.574873 0.617565 0.149722
C 2.357904 0.307405 0.163947
C 0.707724 -1.933468 -0.141192
C 1.359331 2.887698 -0.400882
C 0.557076 1.774292 -0.619489
C 2.694638 2.725181 0.087717
C 3.172021 1.456821 0.363427
C 2.107639 -1.988305 0.351066
C -4.342470 0.597170 1.670188
C 0.788837 4.250521 -0.690425
C 3.602698 3.907828 0.301516
C 2.647793 -3.348652 0.714441
C -0.465419 4.529094 0.135528
C 4.500343 4.141425 -0.912282
C 0.319718 -4.266326 0.184135
H -1.792045 -0.015950 0.803602
H -1.293898 -1.500452 -1.811468
H -1.074486 0.270939 -1.948232
H -3.542722 0.400404 -1.762017
H -5.260415 -0.199322 -0.171054
H -0.475817 1.917630 -0.971633
H 4.187405 1.302567 0.745125
H -4.101306 -0.415103 2.039940
H -3.559111 1.314458 1.985188
H 1.540727 5.049124 -0.500564
H 0.553212 4.324255 -1.774907
H 3.006653 4.824024 0.511258
H 4.225087 3.754846 1.208382
H -2.314872 -2.372271 0.076676
H -3.368103 2.598088 -0.633688
H -5.685190 2.237717 0.564507
H -1.255649 3.788272 -0.058902
H -0.878036 5.518151 -0.094573
H -0.254403 4.500139 1.211379
H 5.141569 3.273798 -1.112895
H 5.157448 5.005544 -0.759115
H 3.914629 4.327062 -1.820305
H 2.018936 -5.345097 0.858097
H -6.226706 0.426964 2.323386


%chk=000235213-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000235213

0 1
O -2.798838 -1.800307 0.080764
O -2.952931 1.742994 -0.912419
O -5.555644 1.422762 -0.520167
O -5.859822 0.855031 2.132386
O 3.689642 -3.621770 1.102602
O -0.660933 -5.118457 0.370444
N 0.226205 -0.598635 -0.514070
N 2.863327 -0.931944 0.484465
N -0.270277 -2.844429 -0.039094
N 1.501836 -4.317193 0.687686
C -2.294502 -0.466831 -0.198638
C -1.096461 -0.500166 -1.185491
C -3.436975 0.356119 -0.813949
C 1.035583 0.537465 -0.328185
C -4.735213 0.317019 0.019849
C 2.376773 0.328484 0.164164
C 0.633587 -1.850419 -0.048794
C 1.451564 2.959327 -0.405990
C 0.591262 1.856391 -0.590771
C 2.806469 2.759594 0.052406
C 3.231160 1.453430 0.334214
C 2.026487 -1.967015 0.388233
C -4.538843 0.546403 1.529671
C 0.884365 4.353844 -0.627761
C 3.785594 3.915832 0.204144
C 2.514074 -3.338526 0.758510
C 0.262427 4.937053 0.672999
C 4.507577 4.255442 -1.129538
C 0.128621 -4.139455 0.334730
H -1.961327 0.049515 0.730098
H -1.206657 -1.387645 -1.833692
H -1.093526 0.404703 -1.808765
H -3.674910 -0.030972 -1.827592
H -5.241224 -0.653469 -0.145542
H -0.444429 2.046089 -0.892938
H 4.241938 1.251274 0.703193
H -4.070798 -0.335184 2.003377
H -3.933111 1.448521 1.715401
H 1.666714 5.040786 -0.996249
H 0.100610 4.314098 -1.406210
H 3.271085 4.819001 0.579998
H 4.545905 3.650296 0.961550
H -1.989534 -2.423515 0.068990
H -3.783752 2.290537 -1.002944
H -6.208991 1.652058 0.197306
H -0.568225 4.301209 1.027006
H -0.133582 5.951841 0.489769
H 1.009858 5.000920 1.484409
H 5.083202 3.386530 -1.495112
H 5.207682 5.098626 -0.989681
H 3.787255 4.536023 -1.919523
H 1.773433 -5.274617 0.937313
H -6.342930 0.009535 2.312937


