%chk=000177267.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000177267

0 1
O 7.725565 0.995264 1.346442
O 6.497884 0.631315 -2.049753
O 8.562145 -1.552284 1.031745
O -7.194461 -1.205821 0.495579
O -12.096493 -0.473191 -0.749653
N 5.574894 -1.171830 0.462356
C 5.423831 0.268870 0.868656
C 6.699800 1.000142 0.362894
C 6.684872 -1.286283 -0.540793
C 7.141765 0.162332 -0.871467
C 4.170011 0.866714 0.200530
C 2.884349 0.179252 0.674185
C 7.852894 -2.164230 -0.059106
C 1.641065 0.821624 0.045492
C 0.356566 0.126147 0.516475
C -0.889726 0.765108 -0.110984
C -2.172955 0.068421 0.361055
C -3.420511 0.705529 -0.266177
C -4.698130 0.004096 0.208495
C -5.951739 0.636828 -0.406872
C -7.209607 -0.109574 -0.014349
C -8.504078 0.633428 -0.302623
C -9.688373 -0.327366 -0.411246
C -11.020833 0.424551 -0.442887
H 5.337092 0.360083 1.977476
H 6.564596 2.074671 0.129510
H 6.237899 -1.756012 -1.458252
H 8.218024 0.267836 -1.107779
H 5.768933 -1.751692 1.285358
H 4.258941 0.774753 -0.905679
H 4.122199 1.951308 0.420369
H 2.816029 0.221790 1.777884
H 2.927930 -0.899714 0.416872
H 7.497443 -3.116834 0.383051
H 8.556606 -2.390679 -0.878906
H 1.600597 1.898143 0.300382
H 1.709475 0.774394 -1.058502
H 7.837359 0.080269 1.737136
H 5.508101 0.586669 -1.942196
H 0.396886 -0.950682 0.260871
H 0.287192 0.170361 1.620578
H -0.820458 0.718829 -1.214994
H -0.929590 1.841607 0.144091
H -2.241477 0.112846 1.465370
H -2.132147 -1.008771 0.106534
H 9.180401 -0.860212 0.695414
H -3.350103 0.658548 -1.370155
H -3.460764 1.781983 -0.011210
H -4.666114 -1.075800 -0.047328
H -4.768324 0.036588 1.313914
H -5.870037 0.639017 -1.514517
H -6.023649 1.702810 -0.114861
H -8.672184 1.362872 0.518201
H -8.416788 1.239003 -1.225542
H -9.594183 -0.953356 -1.322761
H -9.664577 -1.048692 0.433634
H -11.076108 1.154707 -1.272779
H -11.238961 0.933331 0.512531
H -12.147973 -1.189914 -0.087208


%chk=000177267-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000177267

0 1
O 7.670387 1.430706 1.124259
O 7.122617 0.249219 -2.369259
O 7.979947 -1.157210 1.823846
O -7.319714 -1.406764 0.223662
O -12.382894 -0.362182 -0.626095
N 5.702697 -1.083022 -0.199536
C 5.541129 0.268994 0.428666
C 6.839019 1.037914 -0.008039
C 7.126671 -1.355575 -0.503985
C 7.567401 0.055991 -0.978455
C 4.232028 0.952007 -0.019585
C 2.957602 0.174176 0.375863
C 7.977236 -2.004889 0.610403
C 1.654272 0.898740 -0.029854
C 0.376927 0.107871 0.331644
C -0.926844 0.828443 -0.079464
C -2.202154 0.026026 0.262902
C -3.507130 0.744039 -0.149012
C -4.773794 -0.077499 0.176410
C -6.071437 0.647587 -0.225541
C -7.347340 -0.171206 -0.020886
C -8.671182 0.600216 -0.116403
C -9.887818 -0.288469 -0.444970
C -11.219665 0.456883 -0.252574
H 5.550120 0.210417 1.539098
H 6.610666 1.975799 -0.538677
H 7.204616 -2.052070 -1.364541
H 8.654514 0.224564 -0.990307
H 5.173789 -1.845232 0.236750
H 4.254040 1.085647 -1.120813
H 4.199893 1.966289 0.429314
H 2.955381 0.004398 1.473898
H 2.976270 -0.826196 -0.103774
H 7.548658 -2.997618 0.862256
H 9.015174 -2.145359 0.240025
H 1.621413 1.894768 0.459033
H 1.669071 1.090047 -1.123295
H 7.910951 0.579939 1.602101
H 6.165594 -0.023573 -2.392701
H 0.413137 -0.888246 -0.157515
H 0.360692 -0.083519 1.425209
H -0.903619 1.030905 -1.170901
H -0.970503 1.819458 0.419133
H -2.225688 -0.178665 1.353728
H -2.157486 -0.963917 -0.237232
H 8.460881 -1.606727 2.560110
H -3.476163 0.959105 -1.238213
H -3.557929 1.729301 0.360808
H -4.734573 -1.056064 -0.338309
H -4.804606 -0.307650 1.259673
H -6.035469 0.925469 -1.302555
H -6.177635 1.611891 0.314681
H -8.818623 1.093546 0.870941
H -8.563623 1.426501 -0.846796
H -9.822735 -0.649105 -1.488567
H -9.853202 -1.186997 0.202113
H -11.283538 1.334294 -0.919274
H -11.308064 0.813265 0.798469
H -12.368363 -1.197561 -0.093366


