%chk=000187469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187469

0 1
O -1.195395 -1.376238 -0.248726
O 1.999399 -0.361455 0.112671
O -1.374726 -2.369793 -2.266489
O 2.476036 -1.258927 2.129525
C -1.554317 1.620221 -0.522507
C -0.869207 0.682602 -1.516294
C -0.507431 2.091495 0.462918
C -0.168459 -0.462552 -0.773716
C 0.611755 -0.116423 0.525220
C 0.501231 1.307081 0.995505
C -2.129045 2.935528 -1.013600
C -0.592791 3.490353 0.695535
C -1.609996 4.020116 -0.228252
C 1.374570 1.910687 1.921537
C 0.278252 4.080539 1.600426
C -3.062573 3.168679 -2.005184
C -2.048302 5.316358 -0.444157
C 1.244344 3.267104 2.226223
C -3.494963 4.492361 -2.224155
C -3.002195 5.543995 -1.454964
C -1.727122 -2.316891 -1.109376
C 2.854536 -0.960095 1.019289
C -2.718843 -3.161846 -0.406505
C 4.194824 -1.143627 0.418349
C -3.386444 -4.151311 -1.147749
C -2.991813 -2.993984 0.959376
C 5.152718 -1.866887 1.148758
C 4.514384 -0.613280 -0.840572
C -4.327279 -4.968497 -0.518643
C -3.934475 -3.816060 1.581449
C 6.427955 -2.058611 0.614251
C 5.793122 -0.808995 -1.367822
C -4.600681 -4.800856 0.843919
C 6.747275 -1.530538 -0.642211
H -2.362400 1.055178 0.014481
H -1.597279 0.265267 -2.240724
H -0.124590 1.239540 -2.122474
H 0.487659 -1.039302 -1.471546
H 0.342124 -0.834429 1.344281
H 2.154074 1.312673 2.394968
H 0.230920 5.144447 1.817060
H -3.459683 2.355784 -2.608138
H -1.665946 6.143857 0.148165
H 1.920596 3.717072 2.952669
H -4.226789 4.688272 -3.006445
H -3.353395 6.558869 -1.634614
H -3.161990 -4.273183 -2.210991
H -2.464267 -2.222319 1.526575
H 4.891015 -2.272639 2.129827
H 3.760612 -0.050775 -1.398300
H -4.847302 -5.737080 -1.088975
H -4.148858 -3.689806 2.642002
H 7.173884 -2.619378 1.176033
H 6.045819 -0.399293 -2.344959
H -5.335574 -5.441181 1.332632
H 7.744225 -1.682231 -1.056955


%chk=000187469-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187469

0 1
O -1.328263 -1.488944 -0.100856
O 2.145042 -0.388276 0.020061
O -1.497469 -2.763389 -2.049644
O 2.897725 -1.435613 1.969549
C -1.369710 1.374025 -0.670002
C -0.591092 0.382299 -1.559773
C -0.511882 1.767883 0.511933
C -0.125314 -0.801598 -0.676627
C 0.730767 -0.419246 0.556099
C 0.420566 0.943991 1.154792
C -1.867844 2.728454 -1.167999
C -0.668476 3.143175 0.831342
C -1.518769 3.746788 -0.219364
C 1.114299 1.480775 2.272888
C 0.023781 3.677006 1.939777
C -2.642784 3.041608 -2.296946
C -1.950344 5.077318 -0.410180
C 0.890283 2.821859 2.669514
C -3.060940 4.382879 -2.493695
C -2.721602 5.388804 -1.555281
C -1.928121 -2.470476 -0.906667
C 3.139906 -0.944144 0.838257
C -3.103447 -3.097690 -0.238669
C 4.486644 -0.874882 0.203344
C -3.805307 -4.111344 -0.942613
C -3.527824 -2.711514 1.059816
C 5.581668 -1.441272 0.907411
C 4.695694 -0.265143 -1.061293
C -4.923128 -4.734090 -0.351795
C -4.647879 -3.337568 1.645854
C 6.875245 -1.400864 0.349421
C 5.992668 -0.226570 -1.614666
C -5.346561 -4.348033 0.942866
C 7.082990 -0.793827 -0.912574
H -2.256758 0.822377 -0.286018
H -1.201965 -0.011479 -2.390470
H 0.303992 0.868521 -1.991975
H 0.425920 -1.539258 -1.285489
H 0.686728 -1.227332 1.308748
H 1.837821 0.861688 2.814144
H -0.077176 4.730334 2.223806
H -2.921072 2.267240 -3.020998
H -1.690775 5.861552 0.309886
H 1.428917 3.216873 3.538086
H -3.653893 4.644152 -3.377391
H -3.058788 6.418242 -1.720850
H -3.458373 -4.392815 -1.942373
H -2.977605 -1.932134 1.594050
H 5.395777 -1.904615 1.881989
H 3.845557 0.171434 -1.592257
H -5.463331 -5.516823 -0.894956
H -4.975679 -3.040902 2.647875
H 7.718928 -1.839276 0.893015
H 6.155216 0.244376 -2.590081
H -6.215705 -4.832743 1.401575
H 8.088941 -0.762196 -1.345995


