%chk=000180237.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180237

0 1
O 0.238814 -0.060359 2.073690
O 3.378278 -0.063721 -0.441822
O -1.635168 -0.082358 3.312012
O 3.876495 -4.796336 0.180318
O 3.243973 4.730209 -0.620881
O -5.590014 -0.795888 -0.351097
O -5.088017 -0.746947 -2.559605
O 5.780048 -4.043537 -0.846293
O 5.240291 4.073354 -1.530573
O -7.410199 0.574536 -0.610190
O -7.910137 0.507252 1.599902
C 0.651270 -0.153605 0.643159
C -0.684173 -0.304685 -0.088588
C 1.522716 -1.365190 0.512820
C 1.357461 1.123193 0.303522
C -1.734604 -0.299389 0.857737
C 2.818981 -1.262243 -0.012460
C 2.661827 1.105273 -0.211685
C -1.153448 -0.144069 2.217747
C -0.938308 -0.432613 -1.443105
C 1.082648 -2.636465 0.934782
C 0.749826 2.377906 0.513232
C -3.057818 -0.424949 0.469182
C 3.672696 -2.363978 -0.172806
C 3.365052 2.267588 -0.562475
C -2.276741 -0.558478 -1.851710
C -3.319532 -0.555934 -0.911628
C 1.894052 -3.753700 0.801925
C 1.408846 3.554331 0.187468
C 3.183251 -3.597581 0.244257
C 2.713360 3.478222 -0.350882
C -4.704860 -0.690353 -1.416564
C 5.165843 -4.950558 -0.361314
C 4.507616 4.959879 -1.195425
C -7.006087 -0.798558 -0.621581
C 5.518582 -6.383311 -0.193502
C 4.668077 6.434311 -1.271337
C -7.791160 1.163465 0.598614
C -8.023614 2.609182 0.355967
H -0.129320 -0.436027 -2.173959
H 0.087385 -2.733338 1.376717
H -0.254128 2.415179 0.944171
H -3.876824 -0.424741 1.198079
H 4.672753 -2.232702 -0.598643
H 4.378313 2.199715 -0.971659
H -2.515475 -0.659537 -2.917243
H 1.565524 -4.740113 1.123896
H 0.950399 4.528693 0.344773
H -7.232328 -1.141196 -1.646405
H -7.428534 -1.371399 0.222952
H 5.743626 -6.848031 -1.168134
H 6.418705 -6.492459 0.435197
H 4.711623 -6.970530 0.278601
H 5.539947 6.762685 -0.680204
H 4.840260 6.756456 -2.312059
H 3.786598 6.981040 -0.893394
H -9.032558 2.907143 0.684804
H -7.919772 2.881390 -0.708428
H -7.303516 3.220277 0.925624


%chk=000180237-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180237

0 1
O 0.358889 -0.058555 1.992369
O 3.609500 -0.036765 -0.087783
O -1.567039 -0.072849 3.318862
O 3.965479 -4.906949 0.108336
O 3.360540 4.799506 -0.744285
O -5.707861 -0.684909 -0.142110
O -5.223092 -0.754591 -2.434514
O 6.128164 -4.093011 -0.368864
O 5.613716 4.189291 -1.087380
O -7.654632 0.654664 -0.482042
O -8.225324 0.523999 1.789381
C 0.700387 -0.169050 0.471333
C -0.689799 -0.309977 -0.147720
C 1.577236 -1.393343 0.304217
C 1.421564 1.106521 0.086937
C -1.682441 -0.290967 0.852477
C 2.969109 -1.277129 0.081345
C 2.819360 1.125518 -0.128479
C -1.044527 -0.134966 2.192451
C -1.041040 -0.443020 -1.504427
C 1.046647 -2.702419 0.443416
C 0.732636 2.344736 0.004659
C -3.050414 -0.404587 0.548846
C 3.828344 -2.395222 -0.001120
C 3.535353 2.309381 -0.413343
C -2.408928 -0.555567 -1.829234
C -3.410726 -0.537978 -0.815333
C 1.866063 -3.835917 0.367876
C 1.407119 3.539962 -0.275589
C 3.258034 -3.672866 0.148368
C 2.810637 3.513623 -0.480630
C -4.831555 -0.662209 -1.249950
C 5.357326 -5.043433 -0.139982
C 4.727742 5.061632 -1.025676
C -7.145547 -0.712906 -0.436931
C 5.716815 -6.509258 -0.076649
C 4.901609 6.548227 -1.230007
C -8.147613 1.193391 0.743140
C -8.540638 2.634697 0.537735
H -0.276835 -0.458382 -2.287532
H -0.025481 -2.828141 0.625957
H -0.348423 2.366766 0.176206
H -3.809646 -0.390024 1.335207
H 4.893094 -2.247768 -0.177805
H 4.611859 2.265245 -0.574151
H -2.732846 -0.658815 -2.870120
H 1.461962 -4.844786 0.482899
H 0.880977 4.496155 -0.332243
H -7.324430 -1.131671 -1.437528
H -7.600431 -1.273754 0.392619
H 6.789556 -6.634005 -0.280955
H 5.476219 -6.915292 0.921164
H 5.124925 -7.079125 -0.813441
H 4.594883 7.094162 -0.321047
H 5.954082 6.767158 -1.459092
H 4.256969 6.897458 -2.054941
H -9.017392 3.024444 1.448165
H -9.227355 2.725144 -0.320725
H -7.643979 3.234925 0.303165


