%chk=000231948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000231948

0 1
O -8.149374 -0.778097 -0.366968
O -0.698502 -0.288846 0.174354
O 5.533358 -0.300940 0.098932
O 5.341121 1.922490 0.422624
N -5.482486 0.010366 0.292953
C -5.779405 -0.726811 -0.979800
C -6.657632 0.865470 0.669026
C -4.243583 0.845635 0.160084
C -7.028787 -1.595257 -0.763352
C -7.885626 -0.042980 0.844972
C -3.018223 -0.075319 0.269627
C -1.730312 0.738272 0.344598
C 0.613517 0.088950 0.216130
C 1.076145 1.401772 0.402229
C 1.502160 -0.998487 0.046314
C 3.350858 0.557806 0.250271
C 2.452515 1.624406 0.417659
C 2.866025 -0.753989 0.065086
C 6.993846 -0.147366 0.103469
C 7.498462 -1.571686 -0.106192
C 4.793679 0.849910 0.274549
C 9.021804 -1.608080 -0.129409
H -5.938213 -0.049258 -1.846235
H -4.909373 -1.374185 -1.221882
H -6.429152 1.373515 1.630010
H -6.879351 1.654014 -0.081646
H -4.207384 1.429221 -0.784882
H -4.225332 1.584101 0.992496
H -7.388198 -2.052539 -1.701476
H -6.860228 -2.371119 0.004347
H -7.749458 -0.757025 1.676570
H -8.816479 0.534507 0.980590
H -3.113961 -0.732127 1.161118
H -2.967533 -0.775174 -0.590525
H -1.583929 1.225198 1.323060
H -1.629535 1.468295 -0.476089
H 0.393805 2.234104 0.532874
H 1.099604 -1.999454 -0.093646
H 2.844611 2.637112 0.560905
H 3.580112 -1.573879 -0.063113
H 7.264699 0.543793 -0.711908
H 7.286163 0.288551 1.073257
H 7.083641 -1.979323 -1.050661
H 7.104316 -2.228982 0.695642
H 9.387404 -2.631230 -0.280037
H 9.453085 -1.244246 0.811068
H 9.432425 -0.993789 -0.939891


%chk=000231948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000231948

0 1
O -8.409763 -0.424029 -0.344554
O -0.730936 -0.601168 0.076639
O 5.648490 -0.375132 0.086108
O 5.273624 1.908517 0.376164
N -5.614739 0.051654 0.320696
C -6.003710 -0.653870 -0.929230
C -6.684230 1.006297 0.718978
C -4.293649 0.717856 0.229300
C -7.350686 -1.369256 -0.734445
C -8.017595 0.263118 0.896711
C -3.122295 -0.283909 0.143063
C -1.773552 0.432154 0.239626
C 0.607741 -0.202517 0.126085
C 1.040909 1.138336 0.304342
C 1.558260 -1.247746 -0.018607
C 3.377593 0.382906 0.189798
C 2.420322 1.418086 0.333382
C 2.930037 -0.956364 0.013469
C 7.113437 -0.102772 0.115207
C 7.825009 -1.448545 -0.032428
C 4.817584 0.744271 0.230237
C 9.360336 -1.275058 -0.012990
H -6.086468 0.060744 -1.788138
H -5.235516 -1.406049 -1.183748
H -6.399527 1.483718 1.676184
H -6.819272 1.815121 -0.043852
H -4.247153 1.425253 -0.641391
H -4.173488 1.330535 1.145367
H -7.696046 -1.826949 -1.676107
H -7.242916 -2.153396 0.045815
H -7.924955 -0.476189 1.721448
H -8.838031 0.965647 1.118102
H -3.214877 -1.017319 0.963911
H -3.146271 -0.845501 -0.808588
H -1.650525 0.927353 1.225124
H -1.665887 1.195757 -0.559261
H 0.323405 1.955407 0.418830
H 1.193838 -2.270440 -0.153040
H 2.779267 2.443909 0.468187
H 3.668922 -1.754588 -0.096229
H 7.359558 0.592831 -0.709023
H 7.360948 0.398150 1.069920
H 7.507120 -1.924843 -0.978796
H 7.506814 -2.117870 0.788760
H 9.866418 -2.251331 -0.114052
H 9.700751 -0.815383 0.933750
H 9.703001 -0.630099 -0.843624


