%chk=000235954.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000235954

0 1
O 2.690301 -0.972215 -0.396361
O 4.012992 -1.037264 1.434176
C -1.555524 -0.029642 -0.801617
C -2.242837 1.301634 -0.381788
C -2.653978 -1.103054 -0.535623
C -3.371478 -0.606274 0.754453
C -3.162807 0.926556 0.802685
C -1.297682 2.482695 -0.068102
C -0.269412 -0.344366 -0.018447
C -4.847234 -1.018099 0.856332
C -3.565874 -1.258899 -1.753777
C 0.428728 -1.605695 -0.541512
C -0.408430 2.808235 -1.277235
C -2.102318 3.729997 0.329251
C -5.415298 -0.785250 2.255513
C 1.719391 -1.901190 0.224181
C 2.243277 -3.313426 0.019801
C 3.810946 -0.623910 0.315314
C 4.652653 0.289212 -0.531530
C 5.454100 1.265748 0.337999
C 6.393795 2.121056 -0.504461
H -1.306309 0.013086 -1.884585
H -2.892173 1.610629 -1.238165
H -2.184103 -2.092440 -0.329819
H -2.831014 -1.057130 1.622505
H -4.118961 1.469647 0.734049
H -2.714945 1.216235 1.767321
H -0.640843 2.205063 0.792738
H 0.436268 0.508826 -0.095256
H -0.500261 -0.448630 1.058684
H -4.949798 -2.089185 0.592201
H -5.450820 -0.463646 0.111971
H -4.295744 -2.062665 -1.610791
H -2.988416 -1.502505 -2.652314
H -4.124443 -0.338888 -1.960385
H 0.664050 -1.487102 -1.619846
H -0.254176 -2.476569 -0.475369
H 0.247929 3.659232 -1.068028
H 0.231317 1.959642 -1.546239
H -1.003988 3.063741 -2.159676
H -1.440640 4.581838 0.519000
H -2.686008 3.562369 1.239894
H -2.801009 4.028673 -0.459196
H -4.883160 -1.374003 3.011103
H -6.472817 -1.066809 2.304252
H -5.341099 0.267410 2.551204
H 1.655850 -1.640509 1.303935
H 1.535766 -4.065016 0.386565
H 3.187864 -3.460447 0.563829
H 2.441570 -3.524520 -1.037819
H 4.016251 0.836902 -1.259351
H 5.334756 -0.332263 -1.151712
H 6.029781 0.697983 1.099934
H 4.760525 1.913365 0.911344
H 7.128950 1.510635 -1.041798
H 5.849507 2.712739 -1.249577
H 6.953635 2.824168 0.124445


%chk=000235954-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000235954

0 1
O 2.638528 -0.924485 -0.455352
O 3.916575 -1.139601 1.487410
C -1.624649 -0.108348 -0.929308
C -2.255405 1.271724 -0.527413
C -2.781098 -1.106340 -0.597016
C -3.291815 -0.597933 0.796257
C -3.087985 0.954831 0.759267
C -1.291998 2.480968 -0.389332
C -0.309376 -0.441758 -0.175931
C -4.716375 -1.047682 1.192280
C -3.864027 -1.129912 -1.702189
C 0.363123 -1.746847 -0.659665
C -0.507058 2.740351 -1.699454
C -2.066650 3.760354 0.014727
C -5.073257 -0.694016 2.653320
C 1.714281 -2.024540 0.013556
C 2.334907 -3.376632 -0.362495
C 3.716909 -0.600783 0.372652
C 4.592804 0.458292 -0.279138
C 5.447231 1.243892 0.738568
C 6.426844 2.212604 0.044341
H -1.402098 -0.125993 -2.016746
H -2.967993 1.538453 -1.337673
H -2.393735 -2.140048 -0.495010
H -2.603122 -1.013968 1.562209
H -4.059886 1.483881 0.745288
H -2.553700 1.303005 1.664358
H -0.563854 2.258188 0.419660
H 0.416948 0.379831 -0.315711
H -0.498364 -0.509598 0.914992
H -4.809208 -2.144989 1.053356
H -5.456225 -0.581250 0.511160
H -4.667124 -1.851642 -1.467493
H -3.417968 -1.429871 -2.669279
H -4.337903 -0.141107 -1.844387
H 0.515783 -1.706453 -1.757037
H -0.291091 -2.618586 -0.460342
H 0.166730 3.610997 -1.590229
H 0.108075 1.872138 -1.996428
H -1.205876 2.958860 -2.530681
H -1.379905 4.621525 0.118156
H -2.597355 3.633924 0.975265
H -2.818690 4.019588 -0.756370
H -4.369909 -1.175292 3.359577
H -6.094630 -1.029759 2.911811
H -5.024393 0.397252 2.825150
H 1.639593 -1.932576 1.114399
H 1.674166 -4.200037 -0.034300
H 3.313686 -3.509423 0.128427
H 2.468285 -3.454140 -1.456389
H 3.954808 1.130461 -0.881147
H 5.256473 -0.061464 -1.001223
H 5.999137 0.526127 1.372534
H 4.779339 1.805329 1.419730
H 7.132244 1.665345 -0.609604
H 5.889868 2.948902 -0.583133
H 7.022988 2.773957 0.786324


