%chk=000298292.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298292

0 1
O -0.242772 -1.170865 0.932578
O 1.081342 1.426410 -1.111666
O -1.725539 1.635493 0.849336
O -3.414894 -1.193149 -0.475068
O 2.649685 2.089198 2.103132
O 0.117571 -2.729264 -0.666643
O 0.756379 3.550077 -0.393353
O 3.057415 -2.362745 1.036952
O -2.474786 2.952432 -0.830787
O -2.971384 -3.159953 0.557496
N 2.773646 -0.556259 -0.321061
C -0.350513 -0.139749 -0.083498
C 0.783495 0.869395 0.209105
C -1.771565 0.464743 -0.013925
C 2.077262 0.211511 0.727215
C -2.830192 -0.441646 0.625482
C 3.041555 1.248551 1.331725
C 0.016716 -2.479089 0.511758
C 1.010693 2.800509 -1.302093
C 3.150147 -1.890412 -0.085985
C -2.064763 2.873106 0.301201
C 0.162809 -3.335308 1.706497
C 1.285232 3.091157 -2.731486
C 3.672295 -2.630517 -1.277232
C -3.403883 -2.574490 -0.406770
C -1.797568 3.918104 1.314590
C -3.995651 -3.113960 -1.658315
H -0.198559 -0.604714 -1.095015
H 0.460354 1.686226 0.909763
H -2.098303 0.775617 -1.042683
H 1.790101 -0.489326 1.582936
H -2.421553 -1.121028 1.400618
H -3.666204 0.149106 1.042909
H 2.695354 -0.180511 -1.265450
H 4.096221 1.142061 1.038003
H 1.239264 -3.545067 1.888417
H -0.357044 -4.298482 1.569935
H -0.235332 -2.867915 2.622191
H 0.381977 3.504907 -3.217083
H 2.079175 3.848584 -2.835720
H 1.583102 2.198785 -3.303759
H 2.836594 -3.020914 -1.884353
H 4.258643 -3.507070 -0.953651
H 4.315103 -2.031335 -1.932279
H -0.785779 4.348291 1.141206
H -1.795974 3.528368 2.345338
H -2.521799 4.743004 1.248781
H -3.224336 -3.626302 -2.258824
H -4.779800 -3.854925 -1.435689
H -4.438738 -2.327340 -2.291077


%chk=000298292-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000298292

0 1
O -0.271165 -0.944074 1.214950
O 1.088482 1.517603 -1.238986
O -1.664870 1.665206 1.085257
O -2.841702 -1.177703 -1.030185
O 3.306722 2.402731 0.656417
O -0.140614 -2.832253 -0.162357
O 0.280757 3.563787 -0.435569
O 2.927773 -2.486357 1.029651
O -3.011366 3.068784 -0.205520
O -3.419547 -2.900192 0.441854
N 2.602428 -0.842678 -0.572579
C -0.297186 -0.061754 0.017951
C 0.920165 0.889173 0.110595
C -1.632833 0.695333 -0.041510
C 2.244676 0.177482 0.421401
C -2.875779 -0.198624 0.085253
C 3.416222 1.158768 0.581281
C -0.182454 -2.338859 0.987347
C 0.802990 2.902068 -1.351462
C 2.895637 -2.149424 -0.195010
C -2.342922 2.880168 0.832559
C -0.110073 -3.089312 2.287267
C 1.232229 3.412276 -2.705106
C 3.119064 -3.133814 -1.328353
C -3.114575 -2.523249 -0.710323
C -2.101265 3.857252 1.952311
C -2.939045 -3.396652 -1.927025
H -0.218105 -0.699003 -0.882577
H 0.740654 1.690681 0.848037
H -1.684612 1.261764 -0.990728
H 2.150426 -0.367621 1.386253
H -2.899736 -0.728122 1.052147
H -3.783122 0.414387 -0.039583
H 2.554116 -0.581021 -1.559260
H 4.412006 0.650007 0.618555
H 0.946661 -3.369663 2.453961
H -0.709831 -4.010234 2.215283
H -0.457060 -2.470471 3.127008
H 0.683631 4.335307 -2.943438
H 2.312747 3.644447 -2.674951
H 1.068036 2.653789 -3.486543
H 2.195390 -3.728840 -1.448465
H 3.934268 -3.824199 -1.060126
H 3.353070 -2.646486 -2.290530
H -1.137452 4.361534 1.754676
H -2.026401 3.341924 2.922585
H -2.900165 4.613065 1.973312
H -1.880406 -3.713601 -1.961252
H -3.570456 -4.293614 -1.839073
H -3.170209 -2.846413 -2.851702


