%chk=000278712.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000278712

0 1
O 8.344740 -0.345524 0.439527
O -1.424799 1.371294 1.996775
O -4.243763 -1.802337 -2.922939
O -3.014346 -0.012674 -2.407119
N -1.210239 1.003947 -0.280932
C 3.506707 0.617528 1.580449
C 2.393414 0.597689 0.557357
C 2.918402 0.275767 -0.733477
C 4.728269 0.274560 0.758752
C 4.364225 0.075560 -0.607422
C 1.047354 0.840868 0.748970
C 2.072212 0.202349 -1.831225
C 6.041985 0.150468 1.183182
C 5.330656 -0.250666 -1.554486
C 0.196584 0.762453 -0.377734
C 0.703554 0.445998 -1.653199
C 6.996986 -0.180530 0.202430
C 6.662103 -0.381402 -1.149950
C -1.926182 1.281388 0.892798
C -3.395926 1.484748 0.635219
C -4.253118 0.393629 0.425949
C -3.749040 -1.001001 0.466763
C -3.900419 2.790798 0.628847
C -5.619447 0.620398 0.200893
C -3.448886 -1.713084 -0.709122
C -3.596181 -1.633824 1.709131
C -5.262391 3.009630 0.405591
C -6.119191 1.925049 0.189616
C 8.824873 -0.161103 1.792259
C -3.039226 -3.053761 -0.640478
C -3.167340 -2.961864 1.774370
C -2.897092 -3.675336 0.601195
C -3.516663 -1.052267 -2.032098
H 3.599061 1.607722 2.066745
H 3.332681 -0.115268 2.391411
H 0.644846 1.085760 1.735941
H 2.458580 -0.039833 -2.818855
H 6.312169 0.302848 2.220037
H 5.058063 -0.402489 -2.597333
H 0.036893 0.390568 -2.511944
H 7.445030 -0.634746 -1.860147
H -1.745644 0.916480 -1.167995
H -3.228915 3.633789 0.802058
H -6.289398 -0.223911 0.038229
H -3.804862 -1.077933 2.625938
H -5.655530 4.025754 0.400158
H -7.181059 2.097226 0.013348
H 8.640094 0.864256 2.124904
H 9.900289 -0.348740 1.675781
H 8.369081 -0.896605 2.461079
H -2.832439 -3.603963 -1.560889
H -3.042834 -3.443520 2.745661
H -2.571533 -4.713909 0.655936
H -4.291089 -1.381031 -3.826453


%chk=000278712-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000278712

0 1
O 8.445616 -0.389643 0.372045
O -1.413155 1.919375 2.058573
O -3.839134 -1.853876 -3.242510
O -2.961589 0.113092 -2.398450
N -1.249821 0.972925 -0.100758
C 3.595079 0.781167 1.582163
C 2.420830 0.644863 0.617502
C 2.885728 0.155177 -0.641489
C 4.782390 0.315325 0.745159
C 4.341552 -0.047935 -0.561773
C 1.067626 0.933980 0.843630
C 1.966452 -0.046204 -1.695750
C 6.137142 0.222047 1.112253
C 5.277681 -0.512079 -1.516932
C 0.144773 0.724522 -0.222246
C 0.603594 0.238206 -1.481653
C 7.064872 -0.246022 0.143662
C 6.635995 -0.609828 -1.161270
C -1.944852 1.496915 0.982262
C -3.436239 1.583074 0.742227
C -4.207006 0.463408 0.318976
C -3.678493 -0.946957 0.321507
C -4.062274 2.838709 0.936053
C -5.586907 0.648546 0.040485
C -3.481289 -1.717590 -0.864900
C -3.531541 -1.599001 1.571552
C -5.434807 3.009436 0.660629
C -6.195701 1.912634 0.193707
C 8.954007 -0.026559 1.695114
C -3.209868 -3.109658 -0.787066
C -3.219858 -2.974335 1.647499
C -3.078577 -3.738779 0.465998
C -3.412488 -1.047419 -2.187494
H 3.718761 1.824821 1.932306
H 3.456941 0.159294 2.488401
H 0.703247 1.319098 1.798155
H 2.298695 -0.416412 -2.671999
H 6.459406 0.505479 2.119097
H 4.960022 -0.795311 -2.526569
H -0.120936 0.093326 -2.292324
H 7.389499 -0.963816 -1.871442
H -1.819312 0.769026 -0.940459
H -3.453629 3.674724 1.295526
H -6.187185 -0.214177 -0.270650
H -3.680192 -1.018074 2.487674
H -5.905745 3.987875 0.803848
H -7.261501 2.034639 -0.028596
H 8.770368 1.042764 1.919208
H 10.036981 -0.214073 1.649416
H 8.500872 -0.653148 2.488515
H -3.079411 -3.676044 -1.713777
H -3.104096 -3.450514 2.627168
H -2.855712 -4.809180 0.521925
H -3.705516 -1.366610 -4.100626


