%chk=000291285.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291285

0 1
O -2.856577 -0.227746 -0.145372
O -0.541274 2.362527 0.866944
O -0.388942 -1.351319 -1.479297
O -2.619931 -2.402503 -0.667143
O -3.307138 3.188218 0.847441
O 2.334346 -0.258937 1.942566
O 4.923082 -0.171732 -1.735388
N 1.317525 0.207347 -0.077727
N 3.726504 -0.145652 0.096098
N 3.834854 -0.135552 -1.254590
C -0.038861 -0.003975 0.487127
C -0.914383 1.213866 0.094414
C -0.636704 -1.323777 -0.074294
C -2.390923 0.975288 0.494040
C -2.147171 -1.429777 0.246341
C -3.334090 2.071162 -0.037742
C 2.417071 -0.108536 0.737353
C -4.037004 -2.692046 -0.566114
C 4.906619 -0.207657 1.005239
H 0.026099 -0.060463 1.612414
H -0.810651 1.455534 -0.986885
H -0.082959 -2.210754 0.319163
H -2.491216 0.882387 1.600071
H -2.389483 -1.667585 1.298061
H 1.373493 0.057641 -1.099079
H -4.389572 1.733883 -0.014075
H -3.073332 2.394195 -1.060391
H 0.420554 2.547091 0.769011
H -1.241154 -1.266931 -1.983545
H -2.372387 3.503543 0.965693
H -4.620039 -1.778428 -0.723608
H -4.257377 -3.151663 0.400611
H -4.182786 -3.403563 -1.388692
H 5.357456 0.792357 1.118146
H 5.669480 -0.890321 0.592412
H 4.612269 -0.572018 2.007395


%chk=000291285-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000291285

0 1
O -2.918217 -0.187748 -0.283852
O -0.410441 2.328999 0.788179
O -0.437582 -1.274591 -1.638183
O -2.720206 -2.477120 -0.781279
O -2.987129 3.261701 1.118596
O 2.293810 0.053189 2.122748
O 4.876394 -0.124753 -1.674832
N 1.321620 0.006552 -0.015958
N 3.684282 -0.015401 0.224326
N 3.702160 -0.093835 -1.172348
C -0.070680 -0.117213 0.440967
C -0.895580 1.141174 0.070522
C -0.705831 -1.369760 -0.202059
C -2.374488 0.955972 0.477969
C -2.225995 -1.436436 0.070667
C -3.238167 2.189378 0.158477
C 2.378729 0.013360 0.864303
C -4.166521 -2.737236 -0.652524
C 4.922101 0.016138 1.021193
H -0.052098 -0.216245 1.542161
H -0.842848 1.296684 -1.026550
H -0.240315 -2.288127 0.212208
H -2.432468 0.758055 1.572301
H -2.421471 -1.653987 1.149667
H 1.508223 -0.138627 -1.016557
H -4.303269 1.924926 0.260556
H -3.050945 2.517648 -0.886350
H 0.563174 2.431145 0.640590
H -1.106143 -1.843086 -2.103696
H -1.997483 3.380597 1.167136
H -4.746912 -1.856538 -0.973635
H -4.419814 -2.993374 0.395293
H -4.370396 -3.597151 -1.307310
H 5.526226 0.897453 0.745068
H 5.521790 -0.887822 0.818762
H 4.631889 0.060183 2.080040


