%chk=000180378.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180378

0 1
O -1.000972 0.066617 -0.676581
O -6.629959 0.316188 1.272899
C 5.302399 0.014699 0.558584
C 4.582500 0.980348 -0.412413
C 6.719820 0.530417 0.889419
C 5.318667 -1.418058 -0.011638
C 3.096891 0.754473 -0.444948
C 7.642019 0.671338 -0.318724
C 5.740367 -2.458488 1.023110
C 2.500919 0.093180 -1.536794
C 2.290196 1.201854 0.608570
C 1.128081 -0.117630 -1.577906
C 0.904794 1.002613 0.593536
C 0.340063 0.343180 -0.502765
C -1.918145 0.494711 0.373155
C -3.292133 0.068069 -0.072412
C -4.371057 0.361365 0.765164
C -3.495128 -0.603340 -1.288018
C -5.659999 -0.033109 0.358037
C -4.783818 -0.982400 -1.666085
C -5.885939 -0.704094 -0.850766
C -8.002114 -0.033601 0.971719
H 4.724942 -0.003016 1.517795
H 5.016982 0.880926 -1.426846
H 4.792278 2.028211 -0.114172
H 6.638867 1.506354 1.406912
H 7.183755 -0.159010 1.623862
H 4.307099 -1.669633 -0.390627
H 5.991514 -1.466880 -0.889257
H 7.724523 -0.272914 -0.870871
H 7.281420 1.431270 -1.020211
H 8.652640 0.961859 -0.011125
H 5.719503 -3.467821 0.597169
H 5.073002 -2.456614 1.892365
H 6.758008 -2.276896 1.387630
H 3.122196 -0.257998 -2.360607
H 2.742198 1.714263 1.457549
H 0.650990 -0.625298 -2.412382
H 0.302285 1.358493 1.421063
H -1.625250 -0.001892 1.317996
H -1.846984 1.594750 0.472955
H -4.248164 0.879457 1.712018
H -2.639375 -0.823130 -1.928084
H -4.936957 -1.503931 -2.611534
H -6.880051 -1.005034 -1.158562
H -8.110760 -1.119560 0.900652
H -8.531164 0.357890 1.850481
H -8.331543 0.471123 0.059089


%chk=000180378-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000180378

0 1
O -1.050598 0.171513 -0.756941
O -6.800377 0.756380 0.983126
C 5.372734 0.016544 0.584359
C 4.632911 1.109724 -0.255443
C 6.816021 0.470734 0.947950
C 5.315825 -1.364623 -0.121262
C 3.131344 0.887282 -0.370816
C 7.784387 0.629375 -0.247379
C 5.917426 -2.524380 0.702407
C 2.538235 0.421999 -1.575343
C 2.274499 1.124590 0.732176
C 1.152187 0.194287 -1.674788
C 0.880394 0.903910 0.656092
C 0.317769 0.430505 -0.555583
C -1.950575 0.362914 0.389911
C -3.345574 -0.080302 -0.008920
C -4.460668 0.523194 0.608269
C -3.541274 -1.122838 -0.951157
C -5.771933 0.083279 0.301661
C -4.849964 -1.546825 -1.257552
C -5.976666 -0.957533 -0.636787
C -8.177891 0.354239 0.692422
H 4.818705 -0.083155 1.544300
H 5.079497 1.150045 -1.268005
H 4.829009 2.093678 0.217713
H 6.749946 1.438275 1.487401
H 7.250326 -0.250476 1.668043
H 4.256654 -1.594745 -0.347916
H 5.831618 -1.299283 -1.101479
H 7.929385 -0.326240 -0.783721
H 7.415001 1.373001 -0.976890
H 8.777659 0.969574 0.099111
H 5.760673 -3.493466 0.193568
H 5.442850 -2.588368 1.700288
H 7.005312 -2.400885 0.855023
H 3.174058 0.237164 -2.449791
H 2.700278 1.497305 1.672579
H 0.696506 -0.161652 -2.604019
H 0.255676 1.109825 1.530466
H -1.579853 -0.245969 1.243376
H -1.951447 1.428046 0.699791
H -4.344294 1.340176 1.329320
H -2.673632 -1.570495 -1.442619
H -5.003448 -2.347830 -1.989623
H -6.982247 -1.305514 -0.890642
H -8.352306 -0.707717 0.954492
H -8.805147 0.999521 1.324905
H -8.429583 0.518520 -0.373672


