%chk=000193124.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000193124

0 1
O -2.889745 1.562373 -0.386093
O -2.963247 -0.715050 -0.929512
O -6.626325 0.012539 -1.296731
O -6.122934 1.045080 1.361503
O -4.486451 1.634691 -3.095851
O -2.318601 2.137298 2.536902
O 1.606121 -0.213048 0.359189
O 1.920267 -4.253674 1.119060
O 5.268460 2.221821 -1.971572
O 7.095184 2.712743 -0.006995
C -5.600420 0.967728 -1.009411
C -5.087430 0.744876 0.433111
C -4.501952 0.671504 -2.053013
C -3.826627 1.577723 0.723978
C -3.082109 0.638890 -1.430747
C -3.076422 1.070167 1.967538
C -1.748686 -1.189503 -0.495378
C 2.752075 -0.751832 1.125832
C 3.058786 -2.192455 0.740544
C 0.539322 -1.039346 0.168930
C 0.580891 -2.427475 0.410112
C -0.621360 -0.394892 -0.295118
C 1.832060 -3.087462 0.805403
C -1.762738 -2.579595 -0.231419
C 3.887842 0.185292 0.798903
C -0.597987 -3.180081 0.216757
C 3.986772 0.750250 -0.484666
C 4.843206 0.472329 1.780463
C 5.052971 1.599441 -0.759513
C 5.921415 1.320107 1.501938
C 6.030736 1.888132 0.230464
H -6.028364 1.985334 -1.148950
H -4.913107 -0.351010 0.606936
H -4.734061 -0.289115 -2.590790
H -4.049605 2.666641 0.828468
H -2.267456 0.883373 -2.147413
H -2.416862 0.216111 1.728239
H -3.781201 0.794914 2.779945
H -7.252061 -0.051119 -0.533165
H -6.310866 2.008646 1.402026
H -4.359478 2.545209 -2.744334
H 2.429657 -0.670302 2.191101
H 3.864342 -2.602152 1.387722
H 3.477029 -2.252451 -0.289177
H -0.620777 0.680504 -0.454217
H -2.676715 -3.146749 -0.393455
H -1.556170 2.355477 1.954415
H -0.567201 -4.256724 0.422654
H 3.225574 0.531859 -1.233220
H 4.759398 0.036668 2.776374
H 6.673732 1.547760 2.257102
H 4.550497 2.013864 -2.619226
H 7.070323 3.066387 -0.942846


%chk=000193124-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000193124

0 1
O -3.011882 1.545746 -0.254703
O -3.081980 -0.828458 -0.772945
O -6.937512 0.534255 -1.381652
O -6.437238 1.200747 1.335012
O -4.468513 1.476929 -3.186184
O -2.151895 1.612342 2.511633
O 1.672471 -0.213894 0.085325
O 2.099466 -4.306021 0.971088
O 5.897625 2.028120 -2.023870
O 7.251732 2.888636 0.139306
C -5.669695 1.146239 -1.012176
C -5.317003 0.811534 0.453071
C -4.582290 0.643906 -1.987456
C -4.004246 1.500661 0.877265
C -3.200676 0.546312 -1.292924
C -3.338925 0.862716 2.106607
C -1.808260 -1.297787 -0.397010
C 2.837565 -0.702858 0.910001
C 3.174701 -2.154332 0.510150
C 0.570401 -1.072530 0.044384
C 0.656566 -2.458112 0.373106
C -0.654746 -0.486079 -0.346240
C 1.966360 -3.084090 0.665856
C -1.758300 -2.676228 -0.048188
C 3.972081 0.274018 0.705196
C -0.533804 -3.237076 0.328925
C 4.345873 0.670612 -0.605757
C 4.700191 0.765944 1.813479
C 5.430986 1.542014 -0.780897
C 5.802216 1.632166 1.631728
C 6.173098 2.024654 0.333201
H -5.734557 2.260711 -1.092678
H -5.259654 -0.282773 0.579200
H -4.868908 -0.351332 -2.360059
H -4.185272 2.574694 1.088536
H -2.401203 0.747038 -2.028190
H -3.100082 -0.200317 1.901971
H -4.031053 0.914047 2.964016
H -7.551053 0.638101 -0.605057
H -6.470687 2.191335 1.405484
H -4.378378 2.427082 -2.915429
H 2.504535 -0.682068 1.968128
H 4.011088 -2.535232 1.120650
H 3.504066 -2.177739 -0.548560
H -0.676065 0.583580 -0.566538
H -2.675231 -3.268981 -0.100878
H -1.517012 1.611677 1.749266
H -0.451241 -4.299608 0.580355
H 3.762669 0.321350 -1.466768
H 4.409258 0.474509 2.829072
H 6.373555 2.017720 2.480621
H 5.364888 1.688103 -2.781548
H 7.355674 3.059716 -0.834125


