%chk=000219982.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219982

0 1
O -0.459120 -0.512746 -2.081658
O 1.456839 -0.119328 1.493609
O -1.109615 1.396738 0.390914
O 2.755189 0.113161 -1.402158
O 0.732062 -2.494496 -1.916726
O -3.576682 -0.863954 -0.489533
O 2.787016 1.710720 1.590494
O -1.946204 0.986220 2.454887
O 4.303303 -0.903165 -0.093601
O -4.507015 1.067566 0.240251
C 0.952574 0.254177 0.174096
C -0.564865 0.048231 0.316870
C 1.676612 -0.670423 -0.816676
C -1.231864 -0.680334 -0.867890
C 0.844200 -1.077411 -2.049737
C -2.601634 -0.131079 -1.284613
C 2.403511 0.688445 2.105134
C -1.837281 1.748379 1.525113
C 4.045991 -0.057887 -0.913370
C 0.142452 -3.165372 -3.051625
C 2.790661 0.060522 3.393422
C -2.400991 3.102554 1.317215
C -4.473701 -0.140958 0.273685
C 4.923541 0.940883 -1.573635
C -5.307107 -1.088826 1.056189
H 1.193843 1.329974 -0.037460
H -0.790253 -0.487830 1.280242
H 2.098476 -1.570349 -0.292052
H -1.290031 -1.775688 -0.644078
H 1.277403 -0.757883 -3.021448
H -2.699651 0.962554 -1.131286
H -2.833351 -0.388663 -2.334975
H 0.035871 -4.195670 -2.690801
H 0.823640 -3.116833 -3.905712
H -0.831840 -2.726094 -3.288872
H 3.703989 -0.547587 3.263632
H 3.003657 0.822518 4.158745
H 2.010911 -0.614680 3.783899
H -3.439401 3.010713 0.930284
H -2.448132 3.669081 2.258736
H -1.836277 3.693101 0.578840
H 4.477967 1.358210 -2.491274
H 5.902544 0.506072 -1.826631
H 5.105166 1.793204 -0.892601
H -5.040810 -1.038578 2.127283
H -6.376127 -0.835981 0.975630
H -5.175765 -2.135208 0.735841


%chk=000219982-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219982

0 1
O -0.548617 -0.296130 -2.218242
O 1.482098 0.359247 1.340972
O -1.338390 1.367936 0.395442
O 2.907814 -0.299701 -1.102911
O 0.877246 -2.209049 -2.613273
O -3.474284 -1.134028 -0.125115
O 2.340157 2.510386 0.978609
O -2.186725 0.741256 2.485206
O 3.720234 -2.044408 0.237324
O -4.799059 0.771374 0.156015
C 0.825187 0.351454 0.014281
C -0.670872 0.049041 0.233685
C 1.509349 -0.714953 -0.861367
C -1.248605 -0.718821 -0.981715
C 0.828299 -0.812276 -2.245388
C -2.738137 -0.492914 -1.245576
C 2.217471 1.506821 1.709758
C -2.066513 1.598909 1.581850
C 3.934382 -1.053624 -0.487484
C 0.488656 -2.460092 -4.012350
C 2.793711 1.307947 3.092371
C -2.683707 2.973574 1.555008
C -4.470405 -0.380005 0.520510
C 5.276284 -0.467054 -0.860650
C -5.014467 -1.138711 1.705072
H 0.936930 1.348361 -0.450146
H -0.820583 -0.532956 1.161483
H 1.509918 -1.702507 -0.363959
H -1.066826 -1.801796 -0.821658
H 1.337704 -0.173541 -2.992387
H -2.992021 0.577502 -1.304223
H -3.030798 -1.009164 -2.174186
H 0.575567 -3.547358 -4.154716
H 1.172368 -1.934179 -4.708607
H -0.550209 -2.131787 -4.197070
H 3.402251 0.387817 3.120931
H 3.406753 2.177173 3.369805
H 1.976627 1.179521 3.823612
H -3.665202 2.896731 1.050979
H -2.845478 3.330799 2.583228
H -2.056382 3.679842 0.990461
H 5.442065 -0.571384 -1.947334
H 6.075093 -0.990602 -0.316390
H 5.298809 0.611161 -0.628284
H -4.359177 -0.930756 2.571478
H -6.030798 -0.789085 1.940242
H -5.008016 -2.223974 1.521306


