%chk=000215913.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215913

0 1
O 0.883440 1.235350 -2.665312
O -5.808745 0.479803 1.100674
N 2.665959 2.040421 0.296744
N 0.278891 0.734018 -0.520486
C 3.697378 1.005396 -0.053348
C 3.285076 3.201539 1.020213
C 4.364618 0.483918 1.228802
C 3.945455 2.707709 2.318483
C 4.996456 1.628787 2.029623
C 1.963526 2.514786 -0.936328
C -0.586167 -0.404024 -0.925077
C 1.020347 1.432790 -1.463981
C -0.020145 -1.746775 -0.406461
C -1.989853 -0.169721 -0.401396
C 1.386907 -2.044749 -0.846915
C -2.264349 -0.160696 0.979298
C -3.028885 0.061534 -1.310338
C 1.849951 -1.697046 -2.124974
C 2.250021 -2.713891 0.037457
C -3.553269 0.059802 1.446198
C -4.337363 0.283741 -0.868962
C -4.586492 0.280145 0.509131
C 3.154291 -2.014740 -2.511221
C 3.553218 -3.030316 -0.354204
C 4.009605 -2.682612 -1.629236
C -6.964265 0.733058 0.236471
C -8.100401 0.905579 1.224896
H 4.467864 1.388675 -0.755556
H 3.180153 0.163195 -0.569852
H 2.475265 3.921805 1.267076
H 4.029873 3.745091 0.400119
H 5.124835 -0.274259 0.965374
H 3.609459 -0.037047 1.850537
H 3.167914 2.297753 2.993758
H 4.402476 3.562224 2.849531
H 5.845118 2.063360 1.468400
H 5.418695 1.244935 2.976446
H 1.355047 3.416579 -0.696295
H 2.645581 2.810361 -1.766251
H -0.602869 -0.433833 -2.055883
H 0.475728 0.847823 0.473728
H -0.088370 -1.781179 0.700376
H -0.685905 -2.565664 -0.759902
H -1.457992 -0.326944 1.694107
H -2.822845 0.073761 -2.382539
H 1.201320 -1.154116 -2.818870
H 1.906317 -2.990146 1.031620
H -3.785714 0.069916 2.508192
H -5.125851 0.457896 -1.591992
H 3.503362 -1.737872 -3.505368
H 4.214005 -3.551205 0.336233
H 5.022955 -2.931578 -1.934135
H -7.100684 -0.138664 -0.425949
H -6.765381 1.645085 -0.351880
H -8.228218 0.007516 1.845793
H -7.903506 1.736720 1.916926
H -9.048839 1.104806 0.713806


%chk=000215913-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000215913

0 1
O 0.605026 1.419166 -2.833315
O -5.666619 0.621068 1.262366
N 2.545675 2.126765 0.216531
N 0.505555 0.579119 -0.648475
C 3.702444 1.211463 -0.014321
C 2.919063 3.277996 1.083703
C 4.252082 0.666692 1.318023
C 3.444472 2.788502 2.448401
C 4.639698 1.824340 2.265607
C 1.907075 2.532112 -1.058431
C -0.439310 -0.515193 -0.935280
C 0.951106 1.453616 -1.609590
C 0.115148 -1.878049 -0.437315
C -1.835188 -0.228035 -0.369829
C 1.499303 -2.261094 -0.955335
C -2.078964 -0.193074 1.030225
C -2.916985 0.036476 -1.239197
C 1.959469 -1.885929 -2.245267
C 2.349512 -3.056469 -0.143617
C -3.356950 0.092475 1.540416
C -4.211949 0.321605 -0.747454
C -4.432205 0.349439 0.651547
C 3.227792 -2.304028 -2.707980
C 3.617678 -3.477613 -0.603442
C 4.062346 -3.102777 -1.892218
C -6.820335 0.900401 0.384654
C -8.014315 1.169591 1.296509
H 4.518860 1.750056 -0.560136
H 3.366901 0.379343 -0.659138
H 2.023242 3.911727 1.222909
H 3.704686 3.908939 0.594147
H 5.123528 0.016708 1.112204
H 3.476676 0.035610 1.795214
H 2.624798 2.265796 2.979267
H 3.736326 3.662008 3.062543
H 5.496638 2.380843 1.832473
H 4.972304 1.431601 3.245021
H 1.303944 3.444679 -0.887504
H 2.636299 2.770016 -1.864997
H -0.524164 -0.536907 -2.037390
H 0.913412 0.731261 0.286639
H 0.127735 -1.890904 0.670541
H -0.620789 -2.652368 -0.736105
H -1.262193 -0.386698 1.736972
H -2.746502 0.031187 -2.322468
H 1.341064 -1.253610 -2.892609
H 2.011856 -3.351008 0.858638
H -3.550543 0.123035 2.617197
H -5.023187 0.521260 -1.453604
H 3.564452 -2.001331 -3.706114
H 4.255378 -4.094068 0.040723
H 5.044875 -3.425874 -2.254457
H -7.004303 0.025337 -0.272524
H -6.594202 1.779694 -0.253315
H -8.221543 0.293939 1.935009
H -7.817050 2.036449 1.949850
H -8.914126 1.383516 0.691401


