%chk=000180423.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180423

0 1
O 2.328631 0.236018 1.643389
O 0.678786 1.313385 -0.540477
O 0.652223 -0.850607 -1.378128
O 1.371139 1.309686 1.722149
O -0.859396 -2.446144 -0.595861
O -4.500032 3.444686 0.218927
O -6.230376 2.171491 0.825029
C 2.365561 -0.269786 0.266352
C 3.534856 0.479087 -0.435299
C 2.644318 -1.790322 0.181916
C 4.887078 -0.287117 -0.257294
C 0.901451 -0.054355 -0.214921
C 3.759577 -2.158206 1.159241
C 1.374247 -2.668151 0.221628
C 3.724747 1.897748 0.138062
C 4.904381 -1.132745 1.037682
C 1.235448 2.144700 0.545384
C 2.495660 2.789181 -0.014859
C 0.490742 -2.239599 -0.992503
C 5.231257 -1.118424 -1.498440
C 0.643686 -2.622908 1.559637
C 0.125813 3.081233 0.988124
C -1.871613 -2.154470 -1.593252
C -2.705643 -1.006924 -1.079393
C -3.953349 -1.259342 -0.487356
C -2.240151 0.309856 -1.201792
C -4.734023 -0.199870 -0.025575
C -3.016884 1.372325 -0.740805
C -4.266681 1.119132 -0.153878
C -5.119417 2.214069 0.344877
H 3.280858 0.555001 -1.519530
H 3.060572 -1.956333 -0.863939
H 5.703368 0.474244 -0.148846
H 0.159564 -0.332531 0.581070
H 4.126514 -3.179817 0.956743
H 3.376037 -2.166331 2.198227
H 1.676373 -3.730564 0.036643
H 4.587703 2.384011 -0.357316
H 3.982415 1.819211 1.217805
H 4.841068 -0.435064 1.899176
H 5.877079 -1.647803 1.128633
H 2.680573 3.763517 0.478661
H 2.315689 3.016723 -1.089272
H 0.718740 -2.761402 -1.942315
H 6.172285 -1.662553 -1.364815
H 4.451223 -1.864058 -1.715622
H 5.338715 -0.486702 -2.386697
H 1.182289 -3.191031 2.325165
H 0.536441 -1.594007 1.937736
H -0.370078 -3.042671 1.477283
H -0.493634 2.618924 1.775730
H 0.503586 4.029286 1.383830
H -0.548947 3.293367 0.144355
H -2.441891 -3.100403 -1.664680
H -1.414662 -1.919768 -2.571897
H -4.311643 -2.282105 -0.377642
H -1.250753 0.503788 -1.639086
H -5.706922 -0.385477 0.437470
H -2.659271 2.401049 -0.833082
H -5.075224 4.184971 0.550247


%chk=000180423-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180423

0 1
O 2.531797 0.250916 1.709850
O 0.905208 1.431259 -0.574430
O 0.778479 -0.791201 -1.349385
O 1.593561 1.521563 1.782738
O -0.941742 -2.203355 -0.407564
O -5.360612 3.283784 0.389017
O -7.085977 1.732563 0.443778
C 2.529137 -0.253591 0.293683
C 3.729505 0.405070 -0.473535
C 2.690017 -1.803789 0.229375
C 5.059578 -0.439202 -0.308495
C 1.091730 0.043455 -0.207620
C 3.877967 -2.292568 1.081898
C 1.360255 -2.603316 0.360228
C 4.017815 1.842178 0.034889
C 5.038305 -1.256734 1.016087
C 1.507918 2.289529 0.519451
C 2.843494 2.840743 -0.002860
C 0.434434 -2.156645 -0.830170
C 5.436048 -1.294084 -1.545028
C 0.714160 -2.570226 1.766614
C 0.474304 3.365847 0.858234
C -1.927918 -1.953188 -1.501224
C -2.941736 -0.923104 -1.047043
C -4.290522 -1.294464 -0.819045
C -2.551754 0.429306 -0.854330
C -5.238435 -0.338877 -0.403918
C -3.493858 1.388492 -0.439595
C -4.843818 1.009519 -0.211681
C -5.874953 1.984712 0.226699
H 3.447310 0.439202 -1.545914
H 2.983415 -1.940966 -0.831280
H 5.876694 0.304221 -0.200290
H 0.390217 -0.199681 0.614626
H 4.206999 -3.278370 0.699187
H 3.575160 -2.440597 2.133787
H 1.608905 -3.664004 0.149319
H 4.840656 2.261437 -0.575677
H 4.391324 1.766490 1.072496
H 4.922191 -0.544699 1.855508
H 6.012134 -1.763983 1.156156
H 3.113452 3.737413 0.587074
H 2.650260 3.172522 -1.039910
H 0.603014 -2.779337 -1.731290
H 6.445888 -1.728621 -1.418124
H 4.739207 -2.132048 -1.723883
H 5.449899 -0.673973 -2.461047
H 1.349720 -3.131464 2.474941
H 0.606347 -1.547781 2.162400
H -0.281355 -3.040970 1.744452
H -0.459876 2.898607 1.208931
H 0.854696 4.050113 1.634592
H 0.259266 3.941927 -0.058521
H -2.417769 -2.918961 -1.725384
H -1.386627 -1.590886 -2.395298
H -4.596681 -2.337752 -0.961067
H -1.512414 0.727265 -1.031719
H -6.282798 -0.612745 -0.222276
H -3.200899 2.432130 -0.294419
H -6.100620 3.880022 0.682613


