%chk=000289361.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000289361

0 1
O -0.226289 -1.706196 -0.461011
O -2.878760 -2.087466 1.193413
O -7.862908 1.591519 0.135598
O -6.287344 2.987041 -0.356116
N -1.981574 0.549152 0.504334
N -6.686812 1.891387 0.004982
C 5.269361 -0.186336 -0.616611
C 5.066612 2.222638 0.584199
C 5.403735 1.360230 -0.664764
C 3.808021 -0.625490 -0.504741
C 6.147687 -0.774563 0.499360
C 5.790616 -0.746862 -1.966456
C 3.733039 1.827194 1.235218
C 4.960685 3.691514 0.102118
C 6.189127 2.148447 1.638081
C 3.385438 -1.605974 0.399012
C 2.852400 -0.058311 -1.375641
C 2.046285 -2.016934 0.462290
C 1.518170 -0.444052 -1.339387
C 1.130542 -1.426244 -0.407733
C -0.741545 -2.769834 0.394889
C -2.234398 -2.777968 0.080979
C -3.788121 -1.100209 0.828846
C -3.337673 0.208312 0.473178
C -5.143387 -1.412089 0.933508
C -4.318434 1.182233 0.195645
C -5.672372 0.847248 0.301032
C -6.103610 -0.430391 0.674260
H 6.446684 1.596393 -0.957952
H 4.780348 1.725685 -1.506464
H 5.829675 -0.421521 1.490381
H 7.192978 -0.468606 0.373476
H 6.132436 -1.868829 0.501499
H 6.853546 -0.528869 -2.107195
H 5.670874 -1.834700 -2.011555
H 5.253005 -0.326954 -2.821453
H 3.471594 2.506671 2.052787
H 2.909382 1.849750 0.514410
H 3.769401 0.815989 1.653630
H 4.149597 3.822418 -0.619714
H 5.887198 4.029323 -0.370603
H 4.758450 4.368056 0.938650
H 7.169667 2.357233 1.201713
H 6.026386 2.873554 2.441981
H 6.236206 1.156193 2.103729
H 4.096336 -2.075598 1.080261
H 3.165768 0.704073 -2.092355
H 1.752429 -2.774918 1.179736
H 0.781727 -0.015984 -2.013373
H -0.548933 -2.511395 1.454649
H -0.242000 -3.714899 0.122904
H -2.455472 -2.294764 -0.887662
H -2.660397 -3.797605 0.103950
H -5.439880 -2.419740 1.228718
H -4.031730 2.200461 -0.083880
H -7.171132 -0.651677 0.757061
H -1.694680 1.348567 -0.040601
H -1.309855 -0.216800 0.478088


%chk=000289361-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000289361

0 1
O -0.303105 -1.436057 -0.248280
O -2.781902 -1.396300 1.364354
O -8.587474 1.059326 0.291530
O -7.439876 1.930421 -1.475008
N -2.706453 0.214449 -0.960389
N -7.506638 1.210317 -0.401788
C 5.346839 -0.115361 -0.736111
C 5.548722 2.120564 0.887788
C 5.604784 1.424406 -0.520483
C 3.855371 -0.489330 -0.551410
C 6.279563 -0.987321 0.142876
C 5.718216 -0.413458 -2.227668
C 4.320703 1.696904 1.734722
C 5.444622 3.650300 0.610274
C 6.850558 1.884957 1.705282
C 3.425771 -1.548719 0.282380
C 2.845334 0.206621 -1.275853
C 2.061355 -1.900077 0.415984
C 1.483681 -0.122298 -1.159370
C 1.086045 -1.177405 -0.304977
C -0.759640 -2.523009 0.633035
C -2.277864 -2.550893 0.574092
C -3.964843 -0.780243 0.890856
C -3.901841 0.052571 -0.280507
C -5.155106 -0.922483 1.627282
C -5.097719 0.697910 -0.693079
C -6.278633 0.521108 0.056182
C -6.338319 -0.271714 1.224141
H 6.610182 1.638160 -0.942218
H 4.890519 1.964559 -1.174864
H 6.027972 -0.933870 1.216300
H 7.325816 -0.652866 0.025856
H 6.231693 -2.048615 -0.165914
H 6.793264 -0.219769 -2.402165
H 5.509482 -1.469560 -2.478913
H 5.141342 0.221266 -2.924545
H 4.275391 2.303683 2.659494
H 3.376391 1.846015 1.180737
H 4.366525 0.634171 2.030363
H 4.492666 3.898832 0.103748
H 6.275127 3.997018 -0.034622
H 5.487065 4.223450 1.555594
H 7.741230 2.206776 1.131747
H 6.822518 2.474299 2.641896
H 6.989612 0.827294 1.982559
H 4.158091 -2.125416 0.854995
H 3.121211 1.026356 -1.948672
H 1.786370 -2.725192 1.079830
H 0.722415 0.426274 -1.723667
H -0.428744 -2.333466 1.673042
H -0.343224 -3.489412 0.282263
H -2.633612 -2.498064 -0.472001
H -2.654156 -3.482123 1.040349
H -5.134036 -1.548436 2.524793
H -5.120483 1.346011 -1.574071
H -7.275944 -0.367447 1.774536
H -2.673422 0.800574 -1.789953
H -1.835315 -0.206184 -0.619059


