%chk=000228758.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228758

0 1
O -0.792593 2.395493 -0.507974
O -3.019782 0.379602 0.110574
O -2.532102 0.397825 2.315661
C 3.630208 -1.126401 0.017113
C 4.647376 -0.595522 1.052327
C 2.422562 -0.217036 -0.079014
C 3.204272 -2.559841 0.364168
C 1.550895 -0.051686 1.005922
C 2.171290 0.483043 -1.273710
C -3.122927 1.844134 0.038639
C 5.262971 0.733252 0.623308
C -1.833766 2.550449 0.485308
C 0.218285 1.479265 -0.281019
C -1.505840 -2.248291 0.442882
C 0.441304 0.792497 0.916874
C 1.074498 1.331365 -1.389637
C -2.776529 -1.729073 1.130232
C -1.507072 -1.960221 -1.064591
C -3.457926 2.073452 -1.423733
C -2.744403 -0.235515 1.304150
C -0.202239 -2.399401 -1.721103
H 4.141309 -1.155745 -0.979919
H 4.158087 -0.480496 2.038559
H 5.446794 -1.347628 1.198354
H 2.786338 -2.630852 1.373869
H 2.437877 -2.922132 -0.331351
H 4.052446 -3.250350 0.310423
H 1.738706 -0.583426 1.938837
H 2.844150 0.364030 -2.122951
H -3.957156 2.125072 0.722718
H 5.818883 0.640087 -0.315782
H 5.956556 1.112251 1.381687
H 4.491064 1.499282 0.471550
H -1.977764 3.649211 0.496409
H -1.502025 2.211978 1.487656
H -0.607414 -1.794917 0.911586
H -1.420727 -3.338237 0.619366
H -0.230240 0.913962 1.768281
H 0.870248 1.879966 -2.304882
H -3.674793 -2.023070 0.546099
H -2.886413 -2.195604 2.133048
H -2.364272 -2.466471 -1.547582
H -1.666802 -0.871503 -1.233346
H -2.560922 1.948250 -2.053319
H -4.202526 1.348480 -1.778935
H -3.847087 3.082202 -1.596123
H -0.009484 -3.467065 -1.576118
H -0.222493 -2.210904 -2.800430
H 0.654874 -1.844364 -1.313681


%chk=000228758-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228758

0 1
O -0.810574 2.221299 -0.706745
O -3.184358 0.473858 0.025154
O -2.793170 0.374436 2.321112
C 3.951060 -1.015642 -0.033288
C 4.856635 -0.515875 1.131781
C 2.676979 -0.178198 -0.177863
C 3.626555 -2.523967 0.138042
C 1.709506 -0.116382 0.856179
C 2.420161 0.568367 -1.357176
C -3.164470 1.976509 0.064106
C 5.373851 0.925468 0.941992
C -1.763542 2.539778 0.365156
C 0.307255 1.400149 -0.448173
C -1.888792 -2.393971 0.468049
C 0.531662 0.655783 0.736879
C 1.255887 1.349578 -1.497651
C -3.165711 -1.710980 1.047269
C -1.648345 -2.141734 -1.037349
C -3.720256 2.413689 -1.291853
C -3.025957 -0.211595 1.233704
C -0.392233 -2.875323 -1.554042
H 4.532783 -0.900710 -0.971910
H 4.292303 -0.586836 2.083849
H 5.716355 -1.209945 1.226629
H 3.062276 -2.705387 1.072271
H 3.015642 -2.900113 -0.702541
H 4.556414 -3.121254 0.185581
H 1.868024 -0.681832 1.782699
H 3.147994 0.543005 -2.177703
H -3.823842 2.291448 0.898744
H 5.970991 1.013127 0.014191
H 6.016367 1.233722 1.787168
H 4.535692 1.641703 0.870844
H -1.846131 3.643845 0.380616
H -1.412079 2.203146 1.351984
H -1.001106 -2.071556 1.047310
H -1.995636 -3.484378 0.637672
H -0.186932 0.655801 1.562386
H 1.065251 1.931698 -2.404683
H -4.018281 -1.914615 0.373811
H -3.389498 -2.131680 2.042839
H -2.540732 -2.476268 -1.605253
H -1.549387 -1.057040 -1.223572
H -3.038349 2.103277 -2.099989
H -4.712481 1.965091 -1.464661
H -3.820406 3.513788 -1.322878
H -0.466463 -3.967589 -1.388364
H -0.249091 -2.705468 -2.636842
H 0.513876 -2.510830 -1.035081


