%chk=000186338.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186338

0 1
O 1.254036 -0.146496 -1.374145
O 1.059479 1.682599 0.088471
O 4.869300 1.059280 0.341063
O 3.845623 -1.538863 0.909246
O 3.436110 1.859610 -2.424004
O 1.268963 -3.289201 0.013309
O -0.080382 -1.640753 0.712528
O -3.835409 -3.539764 -0.460172
O -5.488526 -2.117516 -0.956100
C 3.911909 0.426373 -0.511695
C 3.030380 -0.550057 0.304135
C 3.057998 1.583223 -1.072748
C 1.966661 -1.150215 -0.634860
C 1.554716 1.229182 -1.179666
C 0.915361 -1.963505 0.122459
C -0.315977 1.819521 0.277444
C -1.240040 0.883906 -0.189988
C -0.685028 2.927675 1.053880
C -2.586946 1.048367 0.163533
C -2.035558 3.082837 1.371926
C -2.986482 2.157159 0.928141
C -3.582197 0.039683 -0.241972
C -3.339937 -1.276319 -0.162958
C -4.350432 -2.262659 -0.567955
H 4.471536 -0.089704 -1.325163
H 2.564671 -0.030945 1.185934
H 3.198127 2.496552 -0.437364
H 2.421972 -1.792410 -1.434597
H 1.025802 1.692717 -2.043298
H 5.180536 0.426154 1.035780
H 4.184167 -2.192031 0.255008
H 4.293829 2.345110 -2.438346
H -0.911091 0.023215 -0.777348
H 0.069688 3.629027 1.401350
H 0.638593 -3.900326 0.486603
H -2.351597 3.935083 1.974666
H -4.034216 2.289052 1.192730
H -4.543810 0.427915 -0.602893
H -2.390839 -1.688718 0.211841
H -4.495587 -4.234559 -0.724276


%chk=000186338-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186338

0 1
O 1.316702 -0.628957 -1.009519
O 0.998218 1.423546 0.248198
O 5.153699 0.997020 -0.975538
O 4.672831 -1.333196 0.477741
O 2.787389 1.804277 -2.740378
O 2.496868 -2.195929 2.123264
O 0.316265 -1.703340 1.458649
O -4.527113 -2.754111 -2.466840
O -6.077782 -1.537615 -1.226315
C 3.873979 0.302338 -1.088846
C 3.532113 -0.463579 0.195734
C 2.804249 1.373655 -1.343766
C 2.244106 -1.293032 -0.082730
C 1.388160 0.834249 -1.033642
C 1.528437 -1.715087 1.204136
C -0.386088 1.508405 0.557602
C -1.367411 0.683809 -0.021900
C -0.721257 2.491084 1.520146
C -2.732669 0.855468 0.347321
C -2.071145 2.654874 1.891276
C -3.072454 1.851579 1.305536
C -3.809527 0.027376 -0.209152
C -3.686882 -1.004241 -1.100458
C -4.880084 -1.736310 -1.557166
H 3.893174 -0.411337 -1.939735
H 3.367815 0.248494 1.029471
H 3.013650 2.225391 -0.665820
H 2.560586 -2.217862 -0.604624
H 0.686077 1.118741 -1.835746
H 5.814954 0.341574 -0.630364
H 4.486276 -1.814560 1.326159
H 3.691939 2.139782 -2.967163
H -1.073851 -0.111602 -0.711268
H 0.072940 3.110753 1.947126
H 2.046517 -2.509978 2.953256
H -2.340657 3.416235 2.630536
H -4.121939 1.984209 1.592131
H -4.829201 0.259948 0.132072
H -2.727274 -1.337519 -1.505916
H -5.356205 -3.224353 -2.752970


