%chk=000182461.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000182461

0 1
O -1.007575 -0.888505 -0.277153
O 2.459290 3.066832 -0.561969
O 3.606775 -3.150361 0.333370
O 5.227936 -1.104893 0.836291
O 5.635051 1.384631 0.892977
C -0.502126 1.267324 -1.208098
C 0.191233 2.380089 -0.391699
C -2.029809 1.482183 -1.197855
C -0.331511 2.463946 1.055934
C -0.144890 -0.087681 -0.556292
C -2.586898 1.895714 0.136929
C 0.004117 1.237673 -2.655804
C 1.691435 2.148354 -0.364379
C 1.314040 -0.343331 -0.285066
C -1.821790 2.357781 1.134936
C 2.176135 0.744088 -0.101623
C -4.077314 1.740993 0.284690
C 1.787165 -1.685534 -0.183099
C 3.522882 0.552459 0.292739
C 0.930337 -2.903619 -0.489531
C 3.118853 -1.874311 0.200410
C -4.410460 0.348043 0.850110
C 3.981250 -0.764600 0.455140
C 0.756880 -3.749100 0.777553
C 1.558015 -3.712538 -1.631878
C 4.483942 1.644742 0.548396
C -5.880617 0.069287 0.799475
C -6.426812 -1.092515 0.408332
C -7.913563 -1.292288 0.403122
C -5.633577 -2.279751 -0.041441
H -0.010703 3.363529 -0.892959
H -2.526644 0.540622 -1.527209
H -2.305441 2.250291 -1.950202
H 0.005361 3.420025 1.509409
H 0.111140 1.655842 1.679840
H -0.147051 2.204057 -3.153449
H 1.074253 1.007119 -2.725860
H -0.527230 0.483972 -3.251247
H -2.247808 2.658497 2.090584
H -4.492571 2.526712 0.946483
H -4.588912 1.881337 -0.688541
H -0.093877 -2.587369 -0.824783
H -3.833166 -0.427760 0.296914
H -4.057220 0.274751 1.900248
H 0.279594 -3.170326 1.576598
H 0.126690 -4.623053 0.581805
H 1.721615 -4.116175 1.154309
H 2.537234 -4.123517 -1.345242
H 0.919914 -4.560185 -1.903906
H 1.704067 -3.102315 -2.527981
H 4.160509 2.693603 0.426870
H -6.508600 0.897524 1.125213
H 4.568716 -3.131172 0.620624
H 5.838865 -0.247824 0.993586
H -8.195548 -2.197058 0.957751
H -8.289700 -1.407361 -0.622441
H -8.457000 -0.453500 0.855214
H -4.583568 -2.022266 -0.254222
H -5.621558 -3.057968 0.733789
H -6.050250 -2.727944 -0.951616


%chk=000182461-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000182461

0 1
O -0.840653 -1.030527 0.058704
O 2.408457 3.177388 -0.668077
O 4.049972 -3.002770 0.359464
O 5.525003 -0.857983 0.694321
O 5.835647 1.586090 0.748145
C -0.502645 1.078234 -1.141259
C 0.171874 2.286041 -0.414159
C -2.042958 1.209802 -1.086533
C -0.321878 2.431203 1.059359
C -0.021655 -0.190393 -0.413722
C -2.614803 1.729482 0.224915
C -0.046811 1.015093 -2.629005
C 1.685933 2.160146 -0.426601
C 1.470151 -0.366909 -0.240197
C -1.826045 2.297367 1.174754
C 2.280692 0.810804 -0.141191
C -4.113550 1.560148 0.412048
C 2.035462 -1.695510 -0.128891
C 3.677813 0.691933 0.191035
C 1.247090 -2.982739 -0.395076
C 3.408764 -1.781712 0.189980
C -4.506468 0.105546 0.836157
C 4.212321 -0.617633 0.363773
C 1.061814 -3.802354 0.912844
C 1.890229 -3.835806 -1.524890
C 4.596044 1.805696 0.453251
C -6.004698 -0.057165 0.981700
C -6.831296 -0.918840 0.319930
C -8.326656 -0.933188 0.601320
C -6.378528 -1.927096 -0.722388
H -0.087299 3.212671 -0.959510
H -2.483415 0.217792 -1.305502
H -2.369779 1.881864 -1.907635
H 0.010096 3.415860 1.441368
H 0.169210 1.671606 1.705669
H -0.280215 1.973112 -3.128744
H 1.036384 0.831780 -2.735829
H -0.584428 0.210392 -3.162919
H -2.280268 2.662852 2.106600
H -4.484784 2.264456 1.181557
H -4.647642 1.800889 -0.529804
H 0.238670 -2.701312 -0.730136
H -4.088343 -0.616867 0.113698
H -4.008159 -0.106842 1.803882
H 0.518407 -3.207879 1.667783
H 0.465746 -4.708210 0.697863
H 2.032997 -4.117735 1.329665
H 2.879050 -4.224403 -1.235198
H 1.229214 -4.694881 -1.743182
H 2.001403 -3.249808 -2.456422
H 4.227381 2.839298 0.404965
H -6.469374 0.621592 1.716227
H 5.004826 -2.814245 0.589290
H 5.983683 0.097564 0.778648
H -8.655114 -1.930373 0.957236
H -8.907358 -0.719698 -0.318645
H -8.607938 -0.187476 1.365178
H -5.296280 -1.886321 -0.925500
H -6.622055 -2.958267 -0.396841
H -6.913731 -1.764559 -1.679377


