%chk=000181540.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181540

0 1
O -0.132071 -2.502173 -0.061493
O 3.720684 2.765824 -0.153355
O 3.527325 -0.732013 -0.322516
O 2.733888 -2.602517 0.676420
C -0.314389 1.173527 -0.210338
C -1.382656 0.193148 -0.806699
C -1.859514 -0.897424 0.200343
C 0.864456 0.286901 0.309692
C -0.697840 -1.604479 0.920548
C 2.163816 1.050747 0.691189
C 0.378248 -0.638984 1.436190
C -2.732683 -1.903059 -0.622543
C -2.595689 0.942480 -1.410698
C 0.211698 2.071674 -1.364354
C -4.034752 -1.071432 -0.755279
C -3.778028 0.033034 -1.802685
C -2.897975 -0.349118 1.180095
C 2.568868 1.979269 -0.496700
C -0.924846 2.060446 0.882900
C 1.433646 2.895586 -0.959692
C -4.126720 -0.444501 0.640353
C 3.336419 0.053345 0.896132
C 2.049319 1.848315 1.996780
C -5.427138 -0.030840 1.211156
C 3.181784 -2.058881 -0.311976
C 3.456735 -2.649393 -1.649636
H -0.879167 -0.366037 -1.637928
H 1.147981 -0.378972 -0.554368
H -1.082215 -2.239583 1.752067
H 1.229104 -1.227242 1.840970
H -0.023468 -0.050614 2.282150
H -2.891459 -2.843090 -0.074505
H -2.273799 -2.178380 -1.580701
H -2.270831 1.510312 -2.301406
H -2.953988 1.695453 -0.677673
H -0.592292 2.752476 -1.703011
H 0.461587 1.444582 -2.242070
H -4.915597 -1.679947 -1.018971
H -4.685930 0.648917 -1.932398
H -3.581035 -0.439587 -2.782876
H -2.615795 0.050649 2.132217
H 2.965335 1.362148 -1.340568
H -1.828604 2.567812 0.523125
H -1.216732 1.471426 1.760782
H -0.217413 2.828455 1.222903
H 1.783904 3.509148 -1.813051
H 1.166693 3.617992 -0.165384
H 3.177948 -0.620062 1.755671
H 4.304777 0.584258 0.981731
H 1.248598 2.601231 1.928840
H 1.804730 1.203458 2.848128
H 2.982642 2.369664 2.238118
H 0.688340 -2.915575 0.299071
H -5.318473 0.465921 2.184480
H -6.088792 -0.897004 1.359388
H -5.951439 0.667089 0.542554
H 3.508472 3.423385 0.535802
H 4.539522 -2.732435 -1.835780
H 3.044095 -2.030301 -2.462747
H 3.019717 -3.657025 -1.733894


%chk=000181540-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181540

0 1
O -0.054080 -2.505370 -0.023775
O 3.835749 2.784148 -0.162207
O 3.539267 -0.773649 -0.394370
O 2.759043 -2.714148 0.641320
C -0.329541 1.239748 -0.160561
C -1.385949 0.223483 -0.768805
C -1.869237 -0.907180 0.226913
C 0.857979 0.344560 0.377033
C -0.691593 -1.592346 0.950492
C 2.213163 1.070589 0.715829
C 0.351850 -0.595307 1.500811
C -2.708268 -1.929464 -0.605390
C -2.612921 0.922468 -1.433935
C 0.214241 2.135542 -1.318265
C -4.027410 -1.140982 -0.799317
C -3.752877 -0.042809 -1.873733
C -2.968756 -0.384767 1.170667
C 2.606517 2.017755 -0.471153
C -0.951907 2.164308 0.923891
C 1.469924 2.944159 -0.924818
C -4.198131 -0.509645 0.594595
C 3.369966 0.034129 0.854392
C 2.207789 1.838668 2.066204
C -5.529225 -0.055676 1.130826
C 3.189525 -2.115661 -0.380554
C 3.357573 -2.741515 -1.745466
H -0.835613 -0.317962 -1.569631
H 1.100650 -0.314188 -0.485547
H -1.100037 -2.196141 1.791542
H 1.185189 -1.178423 1.935403
H -0.100944 -0.021550 2.331569
H -2.873507 -2.845029 -0.008319
H -2.215257 -2.214330 -1.549646
H -2.278560 1.502688 -2.314702
H -3.046321 1.649959 -0.723558
H -0.574135 2.833557 -1.658208
H 0.465417 1.489205 -2.185699
H -4.885575 -1.770807 -1.101517
H -4.666575 0.549353 -2.080360
H -3.480759 -0.552478 -2.819507
H -2.776370 0.083172 2.142291
H 2.913616 1.383605 -1.322295
H -1.896481 2.608293 0.564244
H -1.177737 1.634636 1.863044
H -0.282058 3.003545 1.175535
H 1.826589 3.537496 -1.788123
H 1.226129 3.672357 -0.123422
H 3.224590 -0.654864 1.703605
H 4.323395 0.579693 0.947693
H 1.611454 2.765383 2.018452
H 1.783514 1.216923 2.873024
H 3.236563 2.114091 2.364943
H 0.766442 -2.887728 0.392506
H -5.437565 0.399788 2.132700
H -6.239619 -0.903186 1.203128
H -6.000818 0.690201 0.459440
H 3.588664 3.538796 0.431217
H 4.000722 -2.127561 -2.392307
H 2.359632 -2.834434 -2.213261
H 3.771673 -3.757091 -1.640358


