%chk=000284948.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000284948

0 1
O 2.114677 2.247026 2.308419
O -2.698523 0.760982 0.125128
O 0.042427 5.663311 -1.627673
O 2.188432 6.130309 -1.182453
O -7.664300 -1.529608 1.249872
O -7.669034 -0.541471 -0.763660
N 2.203002 1.161214 0.296768
N -2.594690 -1.473796 -0.470103
C 2.143572 -0.184505 0.898321
C 1.020114 -1.021703 0.285358
C 3.383139 -1.017150 0.583160
C 1.550775 -2.228147 -0.260913
C 3.009126 -2.225792 -0.079086
C -0.328316 -0.735511 0.235272
C 0.704720 -3.159157 -0.846379
C 4.706198 -0.747733 0.877185
C 3.971144 -3.157096 -0.439324
C -1.179712 -1.686684 -0.375783
C -0.670399 -2.886777 -0.904408
C 5.680075 -1.695653 0.504652
C 5.318060 -2.877291 -0.139892
C 2.160605 2.304610 1.093785
C 2.212020 3.594214 0.330174
C -3.258596 -0.258788 -0.214756
C 1.173592 4.064752 -0.360094
C -4.741178 -0.339688 -0.435928
C 1.258488 5.368107 -1.057135
C -5.567960 -0.941672 0.417978
C -7.030849 -0.944846 0.179367
H 2.005205 -0.092869 2.015063
H -0.727073 0.196091 0.650980
H 2.256235 1.206700 -0.716719
H 1.094622 -4.088149 -1.259568
H 4.994865 0.170378 1.386158
H 3.699348 -4.082614 -0.939940
H -1.332016 -3.615487 -1.367963
H 6.727483 -1.497494 0.728606
H 6.084934 -3.599824 -0.417578
H -3.145318 -2.277197 -0.784798
H 3.161915 4.137700 0.428105
H 0.208946 3.548248 -0.447117
H -5.089367 0.185913 -1.336944
H -5.243542 -1.446554 1.335884
H 0.045795 6.539424 -2.102422
H -8.656140 -1.547622 1.145201


%chk=000284948-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000284948

0 1
O 2.738805 2.284943 2.320300
O -2.861649 0.960416 0.376108
O 0.580904 5.552833 -2.157988
O 2.256324 6.403067 -0.778940
O -7.684374 -2.528783 0.453890
O -7.842800 -0.288694 -0.174573
N 2.175682 1.277753 0.291252
N -2.716447 -1.308662 -0.251775
C 2.136547 -0.083099 0.849739
C 0.965768 -0.923336 0.332824
C 3.347419 -0.965166 0.517296
C 1.443057 -2.172826 -0.161877
C 2.914463 -2.200594 -0.049221
C -0.393224 -0.585713 0.322577
C 0.523349 -3.121533 -0.659078
C 4.709157 -0.703741 0.732172
C 3.856254 -3.190927 -0.403379
C -1.314450 -1.542586 -0.194587
C -0.848459 -2.801400 -0.672858
C 5.655564 -1.695753 0.368005
C 5.230427 -2.926934 -0.191593
C 2.454695 2.380357 1.083082
C 2.400922 3.718847 0.415747
C -3.412729 -0.134847 0.040938
C 1.545804 4.061982 -0.588137
C -4.902306 -0.226155 -0.060984
C 1.535442 5.441179 -1.134490
C -5.655459 -1.330783 0.209406
C -7.135450 -1.276275 0.132711
H 2.074488 0.061179 1.948444
H -0.755861 0.375990 0.689964
H 2.067835 1.388651 -0.718880
H 0.859321 -4.093003 -1.036202
H 5.034237 0.243117 1.176795
H 3.538162 -4.146757 -0.834470
H -1.570260 -3.530280 -1.063717
H 6.724144 -1.512468 0.524892
H 5.976436 -3.682386 -0.462410
H -3.278001 -2.088276 -0.603557
H 3.060670 4.481130 0.848323
H 0.812306 3.368002 -1.013135
H -5.403073 0.721602 -0.294503
H -5.227601 -2.288708 0.526303
H 0.583420 6.483962 -2.509835
H -8.676959 -2.477226 0.400223


