%chk=000280129.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000280129

0 1
O 0.081210 -4.100116 -0.396563
O 2.066324 -3.079606 -0.770832
O 5.550114 1.816259 0.192586
N -1.344830 -1.874624 -0.328555
C -0.799649 0.314436 -0.104918
C 0.417194 -0.426610 -0.218440
C -1.874792 -0.605347 -0.171904
C 0.059212 -1.786885 -0.367643
C 1.767976 0.121679 -0.149676
C -0.933965 1.762438 0.042421
C -3.319700 -0.369698 -0.118725
C 0.886800 -2.973759 -0.528333
C 2.076871 1.094340 0.827339
C 2.768830 -0.303389 -1.036695
C -0.250338 2.627543 -0.829841
C -1.750804 2.299798 1.052258
C -3.886240 0.648110 -0.903991
C -4.139708 -1.152497 0.710997
C 3.351606 1.635609 0.912395
C 4.058355 0.232377 -0.975259
C 4.335603 1.195515 0.001215
C -0.385186 4.010373 -0.691169
C -1.880576 3.684196 1.184241
C -5.264122 0.872790 -0.863011
C -5.517063 -0.921189 0.745239
C -1.199879 4.541800 0.314210
C -6.080861 0.088316 -0.041822
C 0.723631 -5.409357 -0.493910
C 1.429949 -5.731052 0.806363
C 6.651155 1.426580 -0.663103
H -1.852404 -2.741175 -0.410824
H 1.301513 1.422277 1.523520
H 2.545866 -1.073603 -1.780513
H 0.390703 2.213341 -1.607647
H -2.281954 1.633168 1.729888
H -3.245084 1.264266 -1.537112
H -3.704296 -1.927852 1.338990
H 3.607617 2.383329 1.658724
H 4.816660 -0.112515 -1.669089
H 0.148536 4.676373 -1.367184
H -2.513319 4.095758 1.968593
H -5.701904 1.663112 -1.471824
H -6.152258 -1.527138 1.389821
H -1.301653 5.619377 0.420210
H -7.154766 0.265717 -0.012884
H -0.150047 -6.056686 -0.689551
H 1.410726 -5.399684 -1.359242
H 1.797605 -6.763265 0.820779
H 2.296793 -5.069125 0.959495
H 0.767634 -5.596089 1.670855
H 6.879480 0.365184 -0.528909
H 7.465685 2.055752 -0.281845
H 6.424553 1.666450 -1.705726


%chk=000280129-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000280129

0 1
O -0.013873 -4.109119 -0.379988
O 2.113586 -3.135515 -0.592200
O 5.697394 1.940565 0.145064
N -1.291123 -1.832111 -0.256493
C -0.766634 0.359762 -0.099912
C 0.467501 -0.385503 -0.224857
C -1.844317 -0.570386 -0.126747
C 0.103586 -1.760103 -0.333982
C 1.834812 0.183854 -0.160762
C -0.906999 1.833013 0.038172
C -3.308568 -0.394623 -0.094733
C 0.873369 -2.994405 -0.444002
C 2.150434 1.189541 0.800214
C 2.866516 -0.238337 -1.037238
C -0.296523 2.712080 -0.897487
C -1.656926 2.397145 1.106408
C -3.934137 0.717727 -0.723743
C -4.133023 -1.368025 0.539407
C 3.435393 1.748740 0.878550
C 4.161324 0.320078 -0.978097
C 4.448472 1.317821 -0.014426
C -0.433652 4.111312 -0.770401
C -1.798027 3.796409 1.231961
C -5.337867 0.850540 -0.715020
C -5.537773 -1.235723 0.540607
C -1.186388 4.660907 0.294049
C -6.147952 -0.124502 -0.086259
C 0.622467 -5.453123 -0.468441
C 1.089193 -5.928303 0.911129
C 6.783960 1.509274 -0.736458
H -1.796218 -2.712237 -0.359421
H 1.379941 1.526485 1.500511
H 2.661225 -1.022396 -1.770508
H 0.286506 2.291603 -1.723926
H -2.125993 1.732444 1.840566
H -3.318489 1.468206 -1.228180
H -3.671910 -2.214132 1.063903
H 3.678647 2.513828 1.621797
H 4.927639 -0.035217 -1.673203
H 0.046949 4.771710 -1.501034
H -2.379393 4.210778 2.063506
H -5.800739 1.713170 -1.206925
H -6.154170 -1.992192 1.039038
H -1.291531 5.747169 0.393253
H -7.238343 -0.018746 -0.083207
H -0.172593 -6.095847 -0.880992
H 1.469183 -5.395116 -1.175014
H 1.488180 -6.957433 0.838549
H 1.889700 -5.274523 1.295509
H 0.253018 -5.931805 1.631827
H 7.005448 0.432141 -0.605275
H 7.655688 2.107357 -0.432371
H 6.545837 1.710768 -1.799320


