%chk=000180633.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180633

0 1
O -1.603083 -0.823516 -1.657418
O -0.469824 -1.660809 0.239521
O -2.476439 -1.072366 2.186145
O -3.779856 -2.604283 -0.783566
O -3.775853 1.290494 0.311251
O -1.598350 1.855028 -2.892318
O -0.603052 2.142513 -0.906542
O 0.321584 0.375938 1.579423
C -3.090840 -0.956871 0.908916
C -2.655002 0.392358 0.284266
C -2.719290 -2.198628 0.064801
C -2.307960 0.350075 -1.213613
C -1.451946 -1.923774 -0.775343
C -1.386011 1.521534 -1.582934
C 0.764982 -1.151892 -0.146037
C 1.208834 -0.031780 0.607825
C 1.573380 -1.720262 -1.123619
C 3.282168 -0.057564 -0.636794
C 2.467140 0.512982 0.359141
C 2.837527 -1.165821 -1.366904
C 4.632333 0.546813 -0.915477
C 5.531847 0.499848 0.287145
C 0.498161 1.723869 2.093904
C 6.415765 1.451398 0.578746
H -4.185550 -0.955721 1.136224
H -1.800862 0.817143 0.879041
H -2.574412 -3.084263 0.736607
H -3.234825 0.391070 -1.844554
H -1.125627 -2.727120 -1.466920
H -1.476541 -1.086488 2.087818
H -3.981436 -1.912249 -1.456972
H -3.920590 1.622640 1.225278
H 1.230113 -2.579832 -1.695452
H -1.016321 2.603583 -3.201505
H 2.826253 1.372452 0.920306
H 3.471127 -1.608879 -2.132519
H 5.140110 0.022700 -1.756107
H 4.496181 1.591650 -1.274166
H 5.417480 -0.391815 0.907747
H 0.384917 2.442966 1.271106
H 1.464397 1.818642 2.595467
H -0.325766 1.800823 2.813207
H 7.073597 1.402725 1.434570
H 6.556937 2.347390 -0.006993


%chk=000180633-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180633

0 1
O -1.855710 -1.090534 -1.847639
O -0.565900 -0.832973 0.208148
O -2.656536 -0.286342 2.090227
O -3.538937 -2.876538 -0.428039
O -4.268501 1.302471 -0.276974
O -3.084275 1.126683 -3.792119
O -1.543390 1.979340 -2.274072
O 0.763374 0.447459 2.038924
C -3.211765 -0.701195 0.797869
C -3.066618 0.459685 -0.226878
C -2.581739 -2.038084 0.298233
C -2.890714 -0.015167 -1.682536
C -1.382516 -1.711656 -0.605002
C -2.417441 1.140033 -2.567939
C 0.771827 -0.544533 -0.133782
C 1.495469 0.152302 0.876724
C 1.388017 -0.876734 -1.350893
C 3.485532 0.142269 -0.566888
C 2.846013 0.486454 0.654408
C 2.747234 -0.539371 -1.558500
C 4.940996 0.549383 -0.808450
C 5.862482 0.252193 0.360913
C 1.461410 1.181114 3.100576
C 6.631159 1.171330 0.998019
H -4.281964 -0.892103 0.982458
H -2.183064 1.064221 0.054039
H -2.269896 -2.625602 1.176498
H -3.849872 -0.398292 -2.072632
H -0.817608 -2.593899 -0.954085
H -1.670209 -0.182303 1.976976
H -3.529586 -2.623078 -1.388270
H -4.351516 1.772931 0.590335
H 0.813302 -1.363941 -2.143750
H -2.757806 1.877674 -4.359412
H 3.424321 1.011659 1.421298
H 3.224959 -0.799377 -2.509699
H 5.309086 0.016744 -1.708180
H 4.994526 1.632113 -1.040088
H 5.887886 -0.797295 0.692113
H 1.803564 2.170697 2.741962
H 2.324383 0.603476 3.483307
H 0.715550 1.309927 3.898223
H 7.290321 0.894109 1.828362
H 6.629549 2.227449 0.698917


