%chk=000191039.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000191039

0 1
O 4.057801 0.369433 1.475255
O 3.583846 1.642574 -1.812857
O -6.299064 -0.838716 0.672412
C 1.942219 -0.261825 0.319671
C 1.187655 1.094757 0.526231
C -0.245536 1.112094 -0.062596
C -0.871246 -0.299255 -0.091342
C 3.451246 0.169550 0.180527
C 1.464607 -0.907157 -0.993087
C 2.050787 2.201816 -0.120482
C -0.034159 -1.233940 -0.992875
C 3.446195 1.631125 -0.385175
C -2.346377 -0.283685 -0.577350
C -1.121262 2.071405 0.763021
C 1.736330 -1.179623 1.543118
C -2.535273 2.160094 0.186929
C -3.178227 0.807478 0.062642
C -2.973061 -1.677040 -0.344199
C 4.284952 -0.746523 -0.579572
C 2.386180 -2.553973 1.424558
C -4.476560 -1.689704 -0.611212
C -4.460918 0.625714 0.420746
C -5.188036 -0.642436 0.226422
C 4.998922 -1.497390 -1.194405
H 1.136223 1.290222 1.624010
H -0.197128 1.484919 -1.116211
H -0.849550 -0.703909 0.954416
H 2.039939 -1.828580 -1.203684
H 1.699214 -0.211147 -1.828807
H 1.618641 2.545212 -1.085073
H 2.101654 3.092689 0.526840
H -0.401643 -1.191541 -2.036718
H -0.183723 -2.279858 -0.662494
H 4.270002 2.222359 0.066837
H -2.354590 -0.068863 -1.679667
H -0.662924 3.078804 0.785379
H -1.170094 1.736248 1.818030
H 0.643362 -1.306295 1.711507
H 2.112765 -0.664614 2.451861
H -2.511451 2.634514 -0.818739
H -3.149832 2.840049 0.813220
H -2.784065 -2.001200 0.699624
H -2.476915 -2.426154 -0.990399
H 1.932923 -3.145829 0.619470
H 3.458919 -2.493015 1.209799
H 2.266687 -3.125610 2.352553
H 4.150939 -0.483105 1.953387
H 4.461083 1.301276 -2.082897
H -4.904272 -2.691198 -0.402935
H -4.695236 -1.495146 -1.680646
H -5.056700 1.415318 0.880375
H 5.609350 -2.144121 -1.722217


%chk=000191039-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000191039

0 1
O 4.217397 0.453742 1.379155
O 2.827393 1.699895 -1.814850
O -6.543222 -0.505188 0.281849
C 2.002453 -0.348442 0.409306
C 1.155207 0.954012 0.736332
C -0.204980 1.032770 -0.022515
C -0.928352 -0.340128 0.011119
C 3.464171 0.212283 0.120480
C 1.419497 -1.038402 -0.853970
C 2.075573 2.181217 0.445567
C -0.062238 -1.448102 -0.672079
C 3.241738 1.670920 -0.407487
C -2.366994 -0.313998 -0.609376
C -1.102921 2.123696 0.604785
C 1.990361 -1.310473 1.635866
C -2.468185 2.221948 -0.115933
C -3.190218 0.889948 -0.157535
C -3.100592 -1.648404 -0.314440
C 4.288336 -0.584761 -0.805381
C 2.770944 -2.637313 1.486069
C -4.591305 -1.610953 -0.708482
C -4.524348 0.791699 0.148239
C -5.316586 -0.441155 -0.040057
C 5.022478 -1.192652 -1.588534
H 0.907746 0.934935 1.818092
H -0.002148 1.311045 -1.078698
H -1.055386 -0.596634 1.087677
H 2.017797 -1.929035 -1.120532
H 1.506181 -0.337515 -1.703510
H 1.553352 2.992991 -0.090103
H 2.486120 2.594268 1.382176
H -0.478581 -1.674314 -1.674600
H -0.129795 -2.389438 -0.094102
H 4.178142 2.244137 -0.264182
H -2.234399 -0.214368 -1.713290
H -0.598903 3.108140 0.569345
H -1.269600 1.885721 1.675983
H 0.935483 -1.554639 1.864890
H 2.360939 -0.753504 2.518569
H -2.282114 2.551629 -1.161658
H -3.108817 2.991500 0.352274
H -3.021297 -1.855310 0.772494
H -2.594167 -2.480116 -0.837199
H 2.346068 -3.272236 0.688020
H 3.838137 -2.483898 1.234207
H 2.729851 -3.214516 2.427972
H 4.476220 -0.421029 1.766014
H 3.557910 1.315349 -2.366326
H -5.112591 -2.548173 -0.445722
H -4.690188 -1.482900 -1.807251
H -5.082838 1.668261 0.501979
H 5.655872 -1.746312 -2.257450


