%chk=000181132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000181132

0 1
O -0.061926 -0.736132 0.269832
O -1.389441 2.633609 0.900613
O 1.201914 3.179167 0.283619
O 3.708522 2.296438 0.015634
O 4.190993 -2.443183 -0.376934
O -6.135361 -1.558878 -0.631960
C -0.986007 0.311105 0.743382
C -0.652496 1.685727 0.122873
C 0.844553 2.007636 0.189704
C 1.741502 0.893644 0.107142
C -2.355381 -0.183497 0.358445
C 1.257337 -0.444155 0.115492
C 3.151509 1.073917 -0.014855
C 2.093224 -1.541286 -0.053430
C -3.469601 0.599289 0.700741
C -2.531913 -1.407796 -0.308545
C 3.477036 -1.297951 -0.211643
C 4.024753 -0.007691 -0.183018
C -4.758711 0.171437 0.384735
C -3.808387 -1.855836 -0.634947
C -4.907619 -1.055267 -0.280336
C 5.632580 -2.344495 -0.539218
H -0.854841 0.338884 1.852167
H -1.009283 1.757983 -0.934549
H 1.706665 -2.557340 -0.054828
H -3.323267 1.559073 1.210111
H -1.659233 -2.013253 -0.571740
H -0.901397 3.503593 0.918723
H 5.087401 0.183881 -0.282783
H -5.619706 0.776724 0.647868
H -3.971080 -2.799736 -1.150547
H 3.011271 3.053390 0.149844
H 6.083512 -1.906728 0.356329
H 5.872293 -1.773868 -1.441397
H 5.914185 -3.400347 -0.650282
H -6.876101 -0.962058 -0.361741


%chk=000181132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000181132

0 1
O -0.078077 -0.815432 0.014267
O -1.459901 2.662610 0.330291
O 1.203458 3.165687 0.016513
O 3.670996 2.343983 0.012493
O 4.374084 -2.474575 -0.167347
O -6.412176 -1.364757 -0.401813
C -0.981943 0.272609 0.520287
C -0.644101 1.595099 -0.218820
C 0.843500 1.920598 -0.056829
C 1.766374 0.823527 -0.012476
C -2.405170 -0.190533 0.307305
C 1.289054 -0.532574 -0.019354
C 3.188523 1.056705 -0.016548
C 2.178251 -1.606684 -0.075056
C -3.422222 0.242979 1.188693
C -2.753329 -1.012072 -0.795153
C 3.576742 -1.337147 -0.111026
C 4.095307 -0.018025 -0.071700
C -4.766686 -0.126333 0.976105
C -4.089914 -1.395950 -1.013419
C -5.097453 -0.948597 -0.127877
C 5.833826 -2.301453 -0.191466
H -0.770021 0.421314 1.598690
H -0.852787 1.460970 -1.304265
H 1.820606 -2.637820 -0.073183
H -3.168465 0.893786 2.032095
H -1.968573 -1.372105 -1.467406
H -0.890426 3.483550 0.327572
H 5.164438 0.200132 -0.083385
H -5.547369 0.222886 1.664227
H -4.370841 -2.037512 -1.853631
H 2.869420 2.986843 0.046282
H 6.188025 -1.795289 0.725748
H 6.149955 -1.730165 -1.084029
H 6.238359 -3.322359 -0.236608
H -7.043965 -0.997893 0.265324


