%chk=000218358.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000218358

0 1
O 3.834585 -1.093591 -2.764955
O 4.300955 -2.219629 1.567231
O -1.528091 3.960406 2.357996
O -2.912101 2.403859 3.174955
O -1.777448 0.987930 -1.457468
N -0.247826 1.385338 1.611791
N 2.524780 0.564309 1.387270
N 4.932677 -0.844487 -0.138396
C 0.842680 2.374583 1.304318
C 0.120634 0.045082 1.050946
C 2.155224 1.902992 1.957631
C 1.438627 -0.424553 1.697329
C -1.566176 1.917834 1.133115
C 3.836803 0.101623 1.937160
C -2.614714 0.856953 0.768924
C 4.322495 -1.087479 1.105326
C -2.097385 2.705458 2.339131
C 4.620376 0.356295 -0.958028
C 5.244178 -2.031495 -0.987194
C -2.508304 0.413010 -0.676211
C 3.483640 0.041461 -1.945905
C 4.115407 -2.284268 -1.999632
C -3.327619 -0.761570 -1.095476
C -4.384378 -1.267650 -0.324023
C -3.017123 -1.364264 -2.326765
C -5.114981 -2.368947 -0.776358
C -3.746565 -2.467850 -2.774500
C -4.795535 -2.971110 -1.998858
H 0.992945 2.515618 0.210822
H 0.552305 3.362480 1.732862
H -0.676508 -0.685767 1.309187
H 0.221341 0.061605 -0.058083
H 2.039208 1.884879 3.063964
H 2.962480 2.627412 1.719507
H 1.727104 -1.412563 1.273826
H 1.290455 -0.573316 2.790256
H -1.452829 2.623278 0.257707
H 4.577018 0.930093 1.896938
H 3.791143 -0.225994 3.002509
H -3.638350 1.259948 0.949930
H -2.541782 -0.011206 1.462919
H 5.545772 0.635123 -1.512403
H 4.346101 1.220013 -0.317072
H 5.398117 -2.925795 -0.337798
H 6.204095 -1.830581 -1.511612
H 3.343090 0.838356 -2.696652
H 2.531390 -0.161297 -1.422858
H 3.187168 -2.621240 -1.506127
H 4.409828 -3.002522 -2.785185
H -1.822182 4.504832 3.136176
H -4.650503 -0.808023 0.628009
H -2.200729 -0.955677 -2.930859
H -5.935834 -2.759561 -0.175988
H -3.499108 -2.932907 -3.728180
H -5.366752 -3.832130 -2.346849


%chk=000218358-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000218358

0 1
O 3.591598 -2.783225 -2.117202
O 5.329402 -0.817351 2.053024
O -2.013570 2.846664 3.818383
O -2.002667 0.525664 3.921462
O -2.028750 1.813208 -1.059747
N -0.194757 1.502311 1.592138
N 2.580580 1.077416 1.008565
N 4.615999 -0.938166 -0.157922
C 0.512869 2.400850 0.657239
C 0.373500 0.142869 1.645009
C 2.008127 2.450013 1.016028
C 1.871018 0.214844 1.990061
C -1.659712 1.653739 1.732917
C 4.050887 1.089432 1.215918
C -2.552040 0.619145 0.997951
C 4.707005 -0.297093 1.070265
C -1.923222 1.576425 3.240283
C 3.932318 -0.426754 -1.366185
C 5.255559 -2.260425 -0.344706
C -2.577703 0.805011 -0.520879
C 2.935208 -1.486843 -1.880222
C 4.220359 -3.268914 -0.874311
C -3.290436 -0.216576 -1.359882
C -3.951109 -1.342911 -0.797159
C -3.304861 -0.038708 -2.770993
C -4.611059 -2.270814 -1.630700
C -3.961551 -0.966371 -3.601896
C -4.616843 -2.086066 -3.033065
H 0.398395 2.069043 -0.398820
H 0.082011 3.414292 0.737781
H -0.146114 -0.441314 2.425969
H 0.263249 -0.393222 0.669185
H 2.131052 2.936619 2.015454
H 2.543578 3.062546 0.265344
H 2.308009 -0.799464 1.957731
H 1.988532 0.605551 3.030201
H -1.920414 2.665803 1.383529
H 4.492412 1.790553 0.479560
H 4.336385 1.442072 2.233263
H -3.594308 0.707384 1.370392
H -2.236119 -0.406785 1.261135
H 4.687186 -0.218500 -2.151857
H 3.374558 0.487989 -1.114668
H 5.670181 -2.575643 0.627584
H 6.083545 -2.161770 -1.075114
H 2.512148 -1.189626 -2.853854
H 2.114623 -1.605868 -1.138994
H 3.439529 -3.448249 -0.103531
H 4.698967 -4.224979 -1.142647
H -2.090676 2.752461 4.807538
H -3.956986 -1.499822 0.286453
H -2.793567 0.836840 -3.184830
H -5.118392 -3.136082 -1.190738
H -3.966176 -0.822730 -4.687741
H -5.127960 -2.809169 -3.678400


