%chk=000181352.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181352

0 1
O -1.759742 -1.994420 0.449314
O -0.090072 -3.014536 -2.169150
O -2.546618 -3.284232 -2.526703
O 0.674011 -0.955501 2.448897
O -0.880525 0.646970 2.270995
O -5.502050 -2.204342 0.420757
O 0.978771 0.709363 -2.155684
O 3.463063 2.862238 -0.716207
O 5.980422 2.829775 -0.260440
O -5.967822 2.289187 1.156003
O -1.810631 2.739269 0.419669
O 5.743437 0.279054 1.462370
O 4.102947 -1.176175 0.780343
N -3.723286 -0.847780 -0.184024
N 1.453429 -0.212520 -0.125799
N -5.752255 0.066186 0.757229
N 3.624830 1.016217 -2.944617
N 4.463447 -0.718899 3.030770
C -0.500958 -1.746906 -0.221343
C -0.759847 -1.824840 -1.740812
C -2.292557 -2.039770 -1.909117
C -2.871092 -2.032547 -0.465303
C 0.030617 -0.356260 0.216449
C -0.151352 -0.139262 1.717954
C -3.185754 0.447707 -0.217663
C -5.043363 -1.082776 0.354034
C 1.822561 0.386033 -1.334173
C 3.334568 0.552088 -1.569873
C 3.954130 1.542555 -0.544544
C -3.876841 1.528265 0.223198
C 5.500339 1.553626 -0.668307
C -5.237350 1.415822 0.745002
C -3.222281 2.884645 0.225218
C 6.213517 0.427657 0.088550
C 4.715891 -0.619998 1.678334
H 0.164021 -2.573248 0.131456
H -0.375538 -0.947077 -2.312532
H -2.782976 -1.305958 -2.586076
H -3.436093 -2.970404 -0.207219
H -0.566629 0.469430 -0.306464
H 2.133636 -0.695270 0.480285
H -0.106214 -3.069439 -3.156261
H -1.971507 -3.996905 -2.126463
H -2.156409 0.556293 -0.611014
H 3.826118 -0.455576 -1.416613
H 3.613546 1.298367 0.489318
H -6.707051 -0.082233 1.119743
H 5.816397 1.524615 -1.749113
H 0.533631 -0.849703 3.432395
H 3.293432 0.336446 -3.627700
H 3.119129 1.884633 -3.135592
H -3.648939 3.542291 1.007448
H -3.293576 3.381821 -0.763246
H 6.131644 -0.541081 -0.437540
H 7.278602 0.690021 0.266523
H 3.983904 3.356443 -1.398087
H 5.642602 3.065502 0.636424
H -1.621969 2.385896 1.327936
H 5.078523 -0.289875 3.707900
H 3.832532 -1.435878 3.363364


%chk=000181352-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000181352

0 1
O -1.662803 -1.499714 0.495729
O -0.632002 -3.279805 -1.901954
O -2.829030 -2.203640 -2.930790
O 0.709448 0.016051 2.240764
O -0.887900 1.509394 1.491940
O -5.270981 -2.809124 0.358005
O 1.383909 0.767422 -2.604135
O 4.120264 2.758692 -1.331790
O 6.480667 2.388701 -0.016652
O -6.913994 1.408694 1.534273
O -3.062280 3.170394 0.327392
O 5.985616 -0.031228 1.505940
O 3.926259 -1.104879 1.094483
N -3.907694 -0.921716 -0.058982
N 1.665111 -0.012407 -0.424968
N -6.059992 -0.665537 0.874810
N 4.195157 0.693223 -3.132157
N 4.691797 -0.671158 3.263662
C -0.376871 -1.434552 -0.237609
C -0.682335 -1.821376 -1.702439
C -2.186606 -1.461098 -1.874619
C -2.775920 -1.756468 -0.461097
C 0.228074 0.006848 -0.134532
C -0.064622 0.605574 1.239990
C -3.740165 0.460621 0.042978
C -5.096065 -1.562083 0.389708
C 2.149008 0.427889 -1.652499
C 3.703371 0.410142 -1.782862
C 4.358470 1.416656 -0.797152
C -4.682903 1.305951 0.563883
C 5.888831 1.198124 -0.671905
C -5.957016 0.750897 1.029932
C -4.415454 2.793788 0.721292
C 6.326598 -0.081146 0.047416
C 4.785097 -0.648124 1.898308
H 0.318800 -2.147453 0.241071
H -0.039494 -1.288209 -2.425577
H -2.299987 -0.395560 -2.137093
H -3.108724 -2.805787 -0.383658
H -0.242334 0.670643 -0.882080
H 2.316265 -0.413218 0.268821
H 0.282247 -3.565479 -2.139880
H -2.431177 -3.117760 -2.916568
H -2.782922 0.860321 -0.295096
H 4.020406 -0.605282 -1.473270
H 3.884591 1.329157 0.201286
H -6.936921 -1.093671 1.188869
H 6.311283 1.188860 -1.692253
H 0.449104 0.397637 3.122937
H 3.753457 0.102211 -3.845665
H 4.052344 1.688737 -3.351318
H -4.643777 3.089701 1.767435
H -5.085493 3.378006 0.067722
H 5.875559 -0.981745 -0.401073
H 7.424726 -0.158179 0.046380
H 4.831482 3.343720 -0.951221
H 6.392120 2.276882 0.966499
H -2.387070 2.726512 0.908852
H 5.453609 -0.323713 3.842396
H 3.861259 -1.076330 3.688322


