%chk=000191375.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191375

0 1
O -4.493687 -2.635195 0.416779
O -4.996216 2.105778 -0.902233
O -6.076275 -0.597080 -1.010274
O 7.043333 -2.224287 -0.497605
O 8.340358 -0.172446 -1.735486
N 1.262684 0.705294 1.483087
C -1.193060 0.614742 1.716962
C -0.011817 0.455102 0.742143
C 2.454654 0.555921 0.592833
C 3.728464 0.793581 1.425270
C -2.487429 0.300813 1.019212
C 4.954008 0.568563 0.584883
C -3.212275 1.329857 0.397401
C -2.968709 -1.009448 0.998000
C -4.170056 -1.309781 0.324186
C -4.408593 1.030637 -0.262998
C -4.892976 -0.295214 -0.339520
C 5.451736 -0.736904 0.422769
C 5.591773 1.648874 -0.038672
C 6.586471 -0.940418 -0.361326
C 6.733673 1.452958 -0.827858
C 7.226717 0.161631 -0.986591
C -5.757851 -3.088121 -0.134599
C -6.424990 2.275712 -0.694105
C -5.914039 -0.573700 -2.459541
H -1.214103 1.639122 2.139869
H -1.041422 -0.054882 2.592155
H -0.151403 1.122190 -0.136272
H 0.010906 -0.588546 0.353280
H 2.461198 -0.482685 0.190496
H 2.440178 1.238220 -0.284388
H 3.726285 1.814545 1.855729
H 3.724980 0.112609 2.305156
H 1.248562 1.648081 1.887477
H -2.864148 2.359086 0.419263
H -2.431812 -1.817461 1.491911
H 4.968888 -1.590248 0.897852
H 5.202114 2.657094 0.086643
H 7.221315 2.298647 -1.305019
H -6.581204 -2.452680 0.210855
H -5.826639 -4.103720 0.271625
H -5.698663 -3.088723 -1.225836
H -6.972688 1.342325 -0.869728
H -6.676139 3.040464 -1.436483
H -6.583719 2.639415 0.325181
H -5.191452 -1.333400 -2.766775
H -6.922791 -0.808930 -2.810977
H -5.595576 0.422858 -2.783650
H 7.859268 -2.250404 -1.074323
H 8.753967 0.626751 -2.139756


%chk=000191375-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000191375

0 1
O -4.607326 -2.734537 0.034041
O -5.087709 2.080634 -1.047545
O -6.092904 -0.618327 -1.285910
O 7.256614 -2.172025 -0.560238
O 8.515845 -0.072635 -1.694406
N 1.256519 0.659663 1.397181
C -1.217044 0.493296 1.638460
C -0.007862 0.419200 0.670667
C 2.478555 0.531797 0.575492
C 3.746707 0.737350 1.442726
C -2.532603 0.217560 0.927682
C 5.026629 0.570710 0.637804
C -3.255180 1.267807 0.309501
C -3.044001 -1.099496 0.849693
C -4.232491 -1.381676 0.137111
C -4.447245 1.000605 -0.394406
C -4.934031 -0.331093 -0.517881
C 5.570049 -0.722883 0.423750
C 5.671333 1.689423 0.053394
C 6.726428 -0.892853 -0.357588
C 6.837202 1.528787 -0.734067
C 7.358745 0.239505 -0.936969
C -6.001572 -3.075252 0.393444
C -6.482656 2.339330 -0.622489
C -5.862072 -0.509463 -2.747877
H -1.240096 1.500573 2.101737
H -1.045008 -0.235346 2.451312
H -0.174176 1.132138 -0.175608
H 0.038262 -0.593720 0.225535
H 2.496746 -0.487373 0.142468
H 2.507706 1.244253 -0.287375
H 3.712176 1.751264 1.890353
H 3.704331 0.013488 2.277369
H 1.234563 1.560902 1.897541
H -2.910697 2.305796 0.367579
H -2.526147 -1.935437 1.331669
H 5.103916 -1.610441 0.864665
H 5.265689 2.694460 0.215308
H 7.330356 2.402839 -1.178472
H -6.184294 -2.846549 1.461405
H -6.081982 -4.160224 0.225759
H -6.717532 -2.526600 -0.240393
H -7.116731 1.450163 -0.786192
H -6.824950 3.180208 -1.245115
H -6.506245 2.628941 0.445582
H -5.099266 -1.243443 -3.066915
H -6.830080 -0.740488 -3.218936
H -5.539893 0.514597 -3.010154
H 8.066649 -2.093266 -1.130140
H 8.928570 0.734438 -2.083550


