%chk=000212657.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212657

0 1
O 0.410604 -1.935217 0.704861
O -0.442121 1.930145 -1.740314
O -1.577611 0.808115 1.835019
N 1.568022 0.833596 -1.215548
N -0.404765 -0.093659 -0.495515
C 1.962053 -0.294583 -0.319994
C 2.743148 0.125745 0.927229
C 4.273458 0.193079 0.729428
C 0.602547 -0.930735 0.075290
C 0.160885 1.037613 -1.201410
C 4.850966 -1.179841 0.369548
C 4.678676 1.244576 -0.308381
C -1.816131 -0.245648 -0.277605
C -2.413417 0.213056 0.923755
C -2.621866 -0.848805 -1.251395
C -3.787775 0.060284 1.149806
C -3.994482 -0.997286 -1.027528
C -4.570270 -0.547460 0.164485
H 2.550710 -1.035240 -0.927493
H 2.374038 1.100051 1.304494
H 2.527936 -0.600218 1.744201
H 4.708317 0.501460 1.717225
H 2.190544 1.634995 -1.283458
H 4.488426 -1.537302 -0.601437
H 4.585298 -1.937586 1.115767
H 5.944929 -1.147503 0.312034
H 4.368135 0.964965 -1.321509
H 5.768922 1.364586 -0.338119
H 4.254781 2.227268 -0.078369
H -2.173456 -1.198412 -2.183184
H -4.238961 0.410270 2.073313
H -4.615232 -1.466094 -1.789122
H -5.641396 -0.669433 0.329897
H -2.065411 1.084818 2.652030


%chk=000212657-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000212657

0 1
O 0.346520 -1.780786 1.024895
O -0.439313 1.676055 -2.104073
O -1.514870 0.465131 2.005784
N 1.544469 0.724356 -1.205766
N -0.425969 -0.092266 -0.469220
C 1.927342 -0.316179 -0.237666
C 2.770169 0.167300 0.971854
C 4.301787 0.277352 0.725867
C 0.547418 -0.848706 0.214553
C 0.176305 0.879667 -1.359042
C 4.956680 -1.108633 0.508289
C 4.668794 1.246362 -0.425357
C -1.839429 -0.213062 -0.278759
C -2.394757 0.037642 1.004247
C -2.685644 -0.565949 -1.350331
C -3.785289 -0.114540 1.212093
C -4.077112 -0.695772 -1.150912
C -4.621617 -0.481758 0.135850
H 2.452328 -1.151031 -0.744201
H 2.365099 1.143269 1.302591
H 2.592474 -0.555782 1.791789
H 4.724664 0.700262 1.661391
H 2.200095 1.316443 -1.709533
H 4.602290 -1.586364 -0.425157
H 4.730967 -1.795074 1.344655
H 6.055394 -1.014334 0.429430
H 4.388549 0.823990 -1.411028
H 5.759770 1.421145 -0.455091
H 4.173445 2.228388 -0.306102
H -2.243297 -0.733447 -2.337001
H -4.212823 0.068272 2.206363
H -4.726556 -0.968276 -1.988325
H -5.698260 -0.592428 0.303659
H -1.970122 0.508353 2.882256


