%chk=000180439.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180439

0 1
O 0.535152 -0.476404 -0.360602
O 6.336303 0.799159 -0.276351
O 6.635275 -1.461110 0.384216
O -3.839715 -1.844543 -1.631727
O -0.785884 3.297029 0.616136
C -1.311438 1.122571 -0.183099
C -3.538743 0.368167 -0.845900
C -0.808374 -0.143716 -0.502245
C -2.692655 1.358011 -0.361435
C 1.402942 0.507834 0.125488
C -5.011914 0.614028 -1.023878
C 2.761190 -0.058402 0.199291
C -2.971512 -0.900175 -1.153430
C -1.611818 -1.181628 -0.993735
C -0.410905 2.178489 0.328683
C 0.992726 1.743650 0.458509
C 5.103925 0.211060 -0.025062
C 3.860404 0.786272 -0.122689
C 5.287129 -1.151351 0.371961
C 2.940887 -1.390820 0.581078
C -5.710764 0.653232 0.304012
C 4.225060 -1.972308 0.679042
C -6.408949 -0.360223 0.839279
C 7.339834 -0.238179 -0.023345
C -7.079717 -0.217917 2.173078
C -6.593335 -1.689198 0.176134
H -3.083175 2.350445 -0.105331
H -5.173255 1.575011 -1.559189
H -5.452418 -0.162135 -1.688722
H -1.178238 -2.146156 -1.231966
H 1.678556 2.493565 0.856108
H 3.718154 1.820299 -0.431325
H 2.066636 -2.006629 0.809689
H -5.599621 1.597353 0.835671
H 4.359349 -3.008048 0.979910
H 7.959998 0.089126 0.821818
H 7.855989 -0.448162 -0.969604
H -3.382268 -2.698244 -1.848979
H -7.048292 0.809138 2.558458
H -8.136170 -0.512560 2.122196
H -6.595840 -0.858109 2.923680
H -5.728816 -1.955993 -0.454266
H -6.725541 -2.501441 0.900321
H -7.479251 -1.680288 -0.473181


%chk=000180439-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180439

0 1
O 0.611569 -0.557830 -0.327566
O 6.536482 0.989366 0.290121
O 6.894597 -1.385665 0.375558
O -3.948399 -2.049343 -1.021356
O -0.593912 3.445467 -0.149452
C -1.207084 1.111461 -0.408651
C -3.523124 0.305249 -0.748202
C -0.751042 -0.228179 -0.462199
C -2.599565 1.345304 -0.555982
C 1.553029 0.470595 -0.128812
C -5.021102 0.566194 -0.850669
C 2.927770 -0.052972 -0.001978
C -3.009795 -1.029746 -0.804127
C -1.634628 -1.306201 -0.663975
C -0.240122 2.218499 -0.204389
C 1.154445 1.790248 -0.066514
C 5.303443 0.298304 0.205850
C 4.035379 0.852790 0.077752
C 5.518798 -1.098110 0.254141
C 3.155844 -1.457008 0.043949
C -5.707735 0.454426 0.505764
C 4.457810 -2.002561 0.172804
C -6.706498 -0.399618 0.870522
C 7.576968 -0.060987 0.445294
C -7.290709 -0.347604 2.274348
C -7.327152 -1.446661 -0.037351
H -2.935246 2.387720 -0.514242
H -5.168203 1.591787 -1.242818
H -5.475254 -0.130605 -1.573948
H -1.238527 -2.326671 -0.711352
H 1.891045 2.578514 0.101543
H 3.906306 1.935953 0.031409
H 2.297585 -2.129063 -0.019694
H -5.332360 1.161534 1.261461
H 4.625141 -3.081524 0.207983
H 8.051848 0.043335 1.436172
H 8.293746 0.014708 -0.388970
H -3.514651 -2.938337 -1.035855
H -6.830816 0.450325 2.882794
H -8.384259 -0.169465 2.242761
H -7.142793 -1.311804 2.801044
H -6.771801 -1.582433 -0.978301
H -7.360974 -2.427115 0.477253
H -8.375155 -1.181579 -0.283426


