%chk=000187308.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187308

0 1
O -3.361587 3.080418 -0.100582
O -5.217038 0.677582 0.302121
O -4.222934 -1.686119 -0.102554
C -1.080867 0.249408 0.156583
C -3.025952 1.802621 0.451507
C -3.897556 0.738510 -0.263221
C -2.006878 -0.896927 0.071987
C 0.367552 -0.037805 0.079920
C -1.565251 1.500293 0.326209
C -3.339035 -0.654927 -0.069884
C 0.824476 -1.406048 0.115753
C -1.477157 -2.251251 0.173342
C 1.295735 0.979847 -0.024843
C -0.154299 -2.490846 0.201677
C 2.693735 0.707452 -0.089058
C 2.176163 -1.684687 0.059229
C 3.139143 -0.639735 -0.043303
C 3.659823 1.760131 -0.196451
C 4.545085 -0.912238 -0.104188
C 4.998896 1.470197 -0.253255
C 5.446861 0.115593 -0.206218
H -3.334898 1.911497 1.522815
H -4.000459 0.970366 -1.351787
H -0.916988 2.368125 0.435143
H -2.216169 -3.055659 0.221670
H 0.974514 2.022646 -0.060038
H 0.238361 -3.503976 0.281674
H 2.528500 -2.715186 0.089480
H 3.308081 2.790062 -0.230811
H -2.888416 3.240671 -0.944093
H -5.608770 1.582162 0.332873
H 4.876994 -1.948567 -0.067449
H -5.172999 -1.351743 -0.043306
H 5.740842 2.262683 -0.334360
H 6.516996 -0.081451 -0.252885


%chk=000187308-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000187308

0 1
O -3.527208 3.115860 0.134658
O -5.310322 0.730920 0.065608
O -4.330968 -1.677109 -0.044718
C -1.093086 0.250691 0.131985
C -3.078378 1.756439 0.520469
C -3.886238 0.730238 -0.277860
C -2.021527 -0.918154 0.090730
C 0.366970 -0.036212 0.051358
C -1.596431 1.522631 0.329542
C -3.375777 -0.675457 -0.030843
C 0.828539 -1.415568 0.125737
C -1.492869 -2.268870 0.184486
C 1.321490 0.981346 -0.089475
C -0.140436 -2.503711 0.220439
C 2.725490 0.716489 -0.130536
C 2.206706 -1.689566 0.088821
C 3.182708 -0.656219 -0.031793
C 3.695450 1.764370 -0.266801
C 4.591676 -0.924322 -0.069354
C 5.061786 1.473631 -0.300072
C 5.513050 0.117595 -0.199979
H -3.362231 1.695297 1.592017
H -3.762689 0.974329 -1.362290
H -0.945050 2.381794 0.518068
H -2.212072 -3.093051 0.215515
H 0.999242 2.024955 -0.184026
H 0.243390 -3.528109 0.289891
H 2.543156 -2.732404 0.148864
H 3.348463 2.802147 -0.341903
H -3.105168 3.339299 -0.736097
H -5.634920 1.666406 0.066616
H 4.936390 -1.962645 0.005891
H -5.226745 -1.234024 -0.001613
H 5.795036 2.281054 -0.402402
H 6.587077 -0.096973 -0.227237


