%chk=000288892.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000288892

0 1
O -1.479202 -4.319472 1.685592
O 0.183557 4.865986 1.246811
O -0.642955 0.925487 -1.696574
O 6.141460 0.449183 -0.966060
O 5.273206 -0.402881 -2.753713
N -0.544819 -1.719394 0.894422
N -0.310956 2.063047 1.107999
N 5.204451 -0.011643 -1.599635
C 0.110189 -0.375527 1.121456
C -0.899749 0.752745 0.710422
C -1.736436 -1.888295 1.799422
C 0.410489 -2.851175 1.159292
C -1.359129 3.001583 1.635432
C 0.475507 2.758549 0.038425
C 1.429252 -0.288535 0.373447
C -1.343937 0.624567 -0.760954
C -2.408460 -3.235895 1.493505
C -0.304787 -4.178798 0.862073
C -0.635267 4.219595 2.238642
C 1.165110 3.973007 0.676569
C 1.553365 -0.676819 -0.970470
C 2.556099 0.195177 1.063974
C -2.739396 0.107404 -0.946302
C 2.781863 -0.584045 -1.622731
C 3.789932 0.290146 0.424629
C 3.896845 -0.104864 -0.918157
C -3.836875 0.946367 -0.716150
C -2.929834 -1.211434 -1.374910
C -5.131470 0.458365 -0.912709
C -4.228108 -1.695098 -1.565538
C -5.326999 -0.861486 -1.335652
H 0.317891 -0.208195 2.218663
H -1.818460 0.584507 1.349738
H -1.465580 -1.842700 2.876796
H -2.458090 -1.063246 1.601995
H 1.292583 -2.756885 0.490424
H 0.791433 -2.853675 2.203572
H -1.947222 2.489131 2.424566
H -2.069919 3.340378 0.851526
H -0.153637 3.088773 -0.819301
H 1.227211 2.059374 -0.387176
H -2.801911 -3.274330 0.461961
H -3.207668 -3.474857 2.217488
H 0.301377 -5.052768 1.160589
H -0.597052 -4.259137 -0.199712
H -0.003354 3.933207 3.097938
H -1.339085 5.019972 2.527242
H 1.658494 4.613828 -0.075856
H 1.882640 3.678736 1.461697
H 0.676456 -1.040122 -1.515239
H 2.462062 0.517335 2.102626
H 2.884181 -0.876343 -2.673837
H 4.672371 0.666906 0.952869
H -3.685338 1.977421 -0.400409
H -2.065538 -1.856075 -1.549515
H -5.988938 1.107979 -0.742549
H -4.381731 -2.719540 -1.902498
H -6.337724 -1.238026 -1.490754


%chk=000288892-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000288892

0 1
O -0.963324 -4.688147 2.135054
O -0.092101 4.644932 0.633751
O -0.819513 -0.273553 -1.630567
O 6.166756 1.097055 -0.796337
O 5.634520 -0.410496 -2.422871
N -0.216990 -2.047723 1.112662
N -0.515561 1.788637 0.785596
N 5.358788 0.250953 -1.347407
C 0.187466 -0.612445 1.190713
C -0.959769 0.365651 0.719990
C -1.598732 -2.343251 1.581379
C 0.745555 -2.912306 1.858436
C -1.419433 2.728429 1.492787
C 0.050173 2.411955 -0.444890
C 1.537075 -0.396581 0.502252
C -1.570792 0.059086 -0.664552
C -1.909494 -3.839435 1.399052
C 0.402176 -4.395759 1.668836
C -0.640701 4.012985 1.840298
C 0.799260 3.697755 -0.061199
C 1.886461 -1.092077 -0.685376
C 2.472999 0.502105 1.075911
C -3.042269 0.278067 -0.901288
C 3.136142 -0.887433 -1.296210
C 3.726695 0.729465 0.474412
C 4.040353 0.028262 -0.709736
C -3.973695 0.617941 0.119666
C -3.516277 0.128092 -2.235553
C -5.339446 0.799355 -0.187738
C -4.877622 0.310065 -2.541696
C -5.795787 0.646853 -1.517011
H 0.329366 -0.309264 2.262776
H -1.747260 0.266332 1.485892
H -1.736073 -2.067840 2.658803
H -2.335529 -1.779965 0.982842
H 1.767676 -2.726894 1.485174
H 0.730529 -2.670128 2.951047
H -1.774615 2.259284 2.430385
H -2.309516 3.004126 0.878468
H -0.751054 2.671847 -1.174919
H 0.736862 1.706909 -0.938842
H -1.875615 -4.088610 0.316362
H -2.905425 -4.083241 1.804424
H 1.065859 -5.034918 2.273870
H 0.498094 -4.668624 0.595754
H 0.183188 3.765000 2.544857
H -1.305535 4.765860 2.295587
H 1.150305 4.230507 -0.959771
H 1.665280 3.453196 0.589855
H 1.158906 -1.784690 -1.114143
H 2.209386 1.029011 1.998977
H 3.421458 -1.410139 -2.212728
H 4.459203 1.419026 0.901995
H -3.651558 0.736817 1.159200
H -2.788410 -0.133479 -3.010507
H -6.046551 1.058607 0.607530
H -5.227202 0.192161 -3.572962
H -6.856285 0.788170 -1.752890


