%chk=000219152.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219152

0 1
O -0.057948 -0.049158 -0.026266
O -0.829861 -0.248435 -2.151209
O -2.750711 -1.588007 2.528100
O -2.082782 -2.487224 0.593153
C 1.904496 -1.551197 0.134621
C 1.342274 -0.227993 -0.475793
C 1.972689 -1.509503 1.682323
C 3.359378 -1.687416 -0.407000
C 1.018833 -2.731588 -0.329157
C 2.038320 1.042617 -0.049180
C 0.625799 -1.433947 2.392433
C 4.041679 -3.001954 -0.038494
C 0.973764 -2.954581 -1.837576
C 1.671990 1.705441 1.130612
C 3.052821 1.576901 -0.858757
C -1.034570 -0.012336 -0.984188
C 2.321410 2.884997 1.504009
C 3.703584 2.753565 -0.478814
C 3.340259 3.408933 0.702404
C -2.319334 0.459466 -0.372925
C -3.011805 -0.221446 0.638597
C -2.828203 1.667570 -0.872787
C -4.198043 0.320034 1.159988
C -4.014915 2.196214 -0.357621
C -4.697732 1.525176 0.661582
C -2.545508 -1.529646 1.164756
H 1.324047 -0.317807 -1.592685
H 2.515619 -2.412123 2.033504
H 2.600442 -0.649972 1.993041
H 3.352732 -1.584278 -1.510100
H 3.970207 -0.844273 -0.025449
H 1.363942 -3.656937 0.171150
H -0.019742 -2.568294 0.038090
H 0.057971 -0.545011 2.078103
H 0.004194 -2.309671 2.171118
H 0.756336 -1.378754 3.477899
H 3.535689 -3.862313 -0.493543
H 4.051129 -3.165013 1.046339
H 5.081867 -3.012447 -0.382808
H 1.965047 -3.135266 -2.263481
H 0.528846 -2.095891 -2.363126
H 0.348198 -3.822816 -2.078259
H 0.870943 1.292929 1.749036
H 3.335358 1.079831 -1.785508
H 2.032811 3.395417 2.421141
H 4.493169 3.162620 -1.106813
H 3.847994 4.325723 0.995075
H -2.296345 2.191734 -1.671132
H -4.721612 -0.206176 1.963019
H -4.406530 3.134845 -0.752726
H -5.619903 1.941225 1.068672
H -2.453893 -2.455165 2.918037


%chk=000219152-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219152

0 1
O -0.130671 -0.200203 0.022418
O -0.706852 0.339960 -2.179996
O -3.037074 -1.670799 2.419709
O -2.127875 -2.331969 0.390124
C 1.947799 -1.620947 0.218437
C 1.325276 -0.310102 -0.385557
C 2.046322 -1.603018 1.779399
C 3.412201 -1.681280 -0.354544
C 1.108193 -2.850573 -0.255092
C 1.992016 1.012540 -0.020843
C 0.733559 -1.689786 2.592070
C 4.179212 -3.001038 -0.116620
C 1.037703 -3.097302 -1.779745
C 1.722650 1.676971 1.203969
C 2.894381 1.611409 -0.935639
C -1.018737 0.199868 -0.972558
C 2.357197 2.900294 1.511658
C 3.536816 2.831094 -0.626841
C 3.272322 3.479166 0.601388
C -2.361430 0.595682 -0.417619
C -3.063654 -0.078404 0.623970
C -2.902625 1.791842 -0.950613
C -4.253856 0.488971 1.147261
C -4.098382 2.338527 -0.438291
C -4.767609 1.694341 0.626316
C -2.668199 -1.441072 1.083700
H 1.331884 -0.414131 -1.485766
H 2.682814 -2.459155 2.078499
H 2.601980 -0.693742 2.083121
H 3.381034 -1.492526 -1.447030
H 3.993656 -0.845958 0.082435
H 1.529607 -3.749695 0.237698
H 0.076105 -2.745310 0.118916
H 0.045018 -0.863041 2.353371
H 0.198191 -2.635724 2.393027
H 0.959981 -1.654374 3.674513
H 3.677344 -3.861254 -0.594310
H 4.293546 -3.230244 0.958014
H 5.195707 -2.927557 -0.545927
H 2.034714 -3.255711 -2.230659
H 0.548764 -2.262198 -2.313473
H 0.434027 -4.001033 -1.981947
H 0.998149 1.246243 1.902588
H 3.086590 1.125790 -1.899943
H 2.135944 3.403464 2.459839
H 4.230931 3.279255 -1.346626
H 3.763997 4.428589 0.841739
H -2.363189 2.288964 -1.762537
H -4.776400 -0.037316 1.950611
H -4.497850 3.265878 -0.862027
H -5.689779 2.117871 1.037547
H -2.787047 -2.602659 2.663269


