%chk=000181732.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181732

0 1
O -1.025027 0.444956 -1.917700
O 1.421548 -1.082145 -2.632576
O -4.570273 0.208363 1.090562
O 1.034177 3.153943 0.419528
O 4.466304 -0.250366 1.918489
O 4.413910 -2.724046 0.492850
C 1.176050 1.576114 -1.364530
C 0.189210 1.091195 -2.429999
C -1.533266 0.865782 -0.727440
C 2.053121 0.474524 -0.837227
C 0.460276 2.277026 -0.194415
C 0.785702 0.010457 -3.336200
C -2.772844 0.342230 -0.366979
C -0.883360 1.799809 0.118667
C -3.675841 -0.654565 -1.019642
C -4.859782 -0.756696 -0.021291
C -3.357350 0.785866 0.842733
C 2.125633 -0.762795 -1.488794
C -1.522534 2.225089 1.304387
C 2.847812 0.670165 0.309047
C -2.764371 1.732147 1.689401
C -5.009036 -2.129895 0.593170
C 2.925786 -1.816883 -1.014627
C 3.648717 -0.352240 0.800793
C 3.685695 -1.619386 0.138953
C -4.069028 -2.457277 1.703200
C -5.928704 -2.976246 0.125101
C 4.363317 0.964655 2.700232
C 5.247404 -2.649270 1.679022
H 1.852247 2.340942 -1.843333
H -0.198978 1.949617 -3.029231
H -0.003472 -0.529147 -3.901808
H 1.540407 0.435616 -4.023607
H -4.010121 -0.318248 -2.017960
H -3.168608 -1.627519 -1.171439
H -5.810955 -0.360454 -0.432168
H -1.005258 2.961722 1.930676
H 2.820122 1.645415 0.803712
H -3.259497 2.054307 2.599552
H 2.949303 -2.771988 -1.537869
H -3.022253 -2.419867 1.365667
H -4.164246 -1.724618 2.521943
H -4.243460 -3.452753 2.129473
H -6.062801 -3.976127 0.511953
H -6.617251 -2.745436 -0.672663
H 5.062248 0.760125 3.520380
H 3.343476 1.095292 3.074400
H 4.691604 1.825520 2.109941
H 4.627448 -2.456972 2.560927
H 6.006535 -1.869056 1.554916
H 5.691766 -3.650482 1.702323


%chk=000181732-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181732

0 1
O -0.882397 0.306491 -1.849422
O 1.566176 -0.948561 -2.800013
O -4.515217 0.135490 1.161458
O 1.035752 3.348667 0.348305
O 4.568394 -0.104805 1.905261
O 4.717936 -2.539782 0.414080
C 1.199780 1.675335 -1.422632
C 0.207547 1.117980 -2.462746
C -1.461920 0.826359 -0.692033
C 2.122757 0.566937 -0.896854
C 0.465292 2.397051 -0.272760
C 0.903353 0.186815 -3.454928
C -2.682002 0.271489 -0.282159
C -0.863132 1.875044 0.080457
C -3.515196 -0.842599 -0.880185
C -4.776342 -0.891971 0.054043
C -3.310396 0.770642 0.877830
C 2.259652 -0.652358 -1.603059
C -1.543235 2.355212 1.239355
C 2.886234 0.749653 0.282446
C -2.769582 1.819631 1.660484
C -5.060847 -2.237975 0.693893
C 3.100607 -1.675105 -1.115965
C 3.750543 -0.252281 0.767616
C 3.844537 -1.497055 0.064117
C -4.014937 -2.777847 1.647860
C -6.207280 -2.899329 0.387236
C 4.529455 1.188527 2.593349
C 4.693220 -3.024007 1.810079
H 1.813248 2.449776 -1.925755
H -0.278386 1.954255 -3.006768
H 0.174918 -0.269592 -4.143360
H 1.649412 0.769280 -4.033969
H -3.806009 -0.635008 -1.924646
H -2.971107 -1.804107 -0.883551
H -5.676512 -0.521859 -0.466338
H -1.057759 3.158702 1.803256
H 2.796721 1.704847 0.808002
H -3.290874 2.182688 2.549073
H 3.189515 -2.617949 -1.661429
H -3.019340 -2.851133 1.169072
H -3.904122 -2.099063 2.513462
H -4.290391 -3.778180 2.020648
H -6.424564 -3.891877 0.796872
H -6.960292 -2.469044 -0.284435
H 5.253015 1.097253 3.416947
H 3.521822 1.399905 3.000714
H 4.833212 2.010320 1.916809
H 3.683239 -3.397363 2.069010
H 4.992175 -2.228165 2.510699
H 5.414829 -3.854934 1.831072


