%chk=000188547.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188547

0 1
O -0.658582 -0.550083 -3.040152
O -1.622529 1.064376 -0.604381
O -2.822013 -0.388524 1.387222
O 2.486395 -1.311875 0.876330
O 3.378947 1.822249 -0.581103
O -4.945713 -0.043859 0.687798
O 3.949831 0.170587 1.756447
C -0.189928 -1.420214 -0.612634
C -1.146020 -0.996887 -1.752105
C 0.567945 -0.128503 -0.114767
C -2.205753 -0.166942 -1.014621
C -1.227469 -1.898212 0.456442
C -1.447765 -1.785382 -2.991701
C -2.530664 -1.129183 0.171299
C -0.484716 0.954985 0.304515
C 0.752958 -2.543593 -1.012675
C 1.506848 0.388765 -1.215555
C 1.367502 -0.424925 1.178747
C 2.031913 1.824080 -1.074170
C 0.039044 2.357459 0.345382
C 1.171345 2.755085 -0.244622
C 1.679123 4.155656 -0.153962
C -4.088041 0.163768 1.510477
C 3.756673 -0.892327 1.208880
C -4.141394 0.963080 2.762348
C 4.737260 -1.930523 0.799338
H -3.081289 0.162408 -1.605666
H -0.874411 -1.714337 1.488894
H -1.391003 -2.986786 0.391882
H -0.889058 -2.683704 -3.239674
H -2.419003 -1.710992 -3.475672
H -3.397294 -1.782231 -0.055413
H -0.928561 0.684020 1.297388
H 0.216827 -3.464188 -1.265173
H 1.357885 -2.264632 -1.886254
H 1.457698 -2.786512 -0.202520
H 0.986388 0.323561 -2.200619
H 2.380657 -0.291981 -1.302979
H 0.777389 -1.001633 1.916108
H 1.745354 0.506797 1.644763
H 2.176822 2.263799 -2.096462
H -0.604987 3.055495 0.880176
H 1.312894 4.686127 0.733260
H 1.371798 4.740143 -1.033976
H 2.781769 4.178613 -0.121408
H 3.415827 1.594976 0.379569
H -4.127683 2.041667 2.528810
H -3.289922 0.762764 3.431128
H -5.071294 0.763460 3.318015
H 5.383029 -1.548771 -0.011232
H 4.257417 -2.851980 0.434882
H 5.400855 -2.197344 1.637798


%chk=000188547-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188547

0 1
O -0.818116 -0.655202 -3.108353
O -1.595832 1.105107 -0.569156
O -2.954897 -0.379265 1.448993
O 2.682670 -1.283755 0.762839
O 3.523039 1.699248 -0.580144
O -5.054360 0.005264 0.508651
O 4.072566 0.249483 1.842204
C -0.216272 -1.456916 -0.628694
C -1.231290 -1.027899 -1.720790
C 0.605389 -0.159981 -0.163100
C -2.232032 -0.151539 -0.975229
C -1.251398 -1.898501 0.480730
C -1.667810 -1.882344 -2.871308
C -2.561866 -1.102936 0.214500
C -0.410018 0.934488 0.332104
C 0.693027 -2.618138 -1.071381
C 1.457356 0.422941 -1.326003
C 1.477553 -0.460189 1.087470
C 2.121572 1.799241 -1.067341
C 0.180335 2.318854 0.446893
C 1.308736 2.739440 -0.186345
C 1.828223 4.156857 -0.070914
C -4.249290 0.168795 1.451509
C 3.923081 -0.827254 1.211035
C -4.488963 0.960456 2.715865
C 5.031176 -1.765179 0.801675
H -3.115830 0.153342 -1.553136
H -0.901166 -1.713083 1.509548
H -1.437071 -2.983615 0.395520
H -1.162069 -2.831354 -3.081648
H -2.699492 -1.798413 -3.237668
H -3.403547 -1.755478 -0.078207
H -0.811576 0.625797 1.321300
H 0.088907 -3.520734 -1.279269
H 1.248942 -2.360170 -1.990158
H 1.429324 -2.871793 -0.293957
H 0.800107 0.533596 -2.204084
H 2.258353 -0.281397 -1.611251
H 0.925596 -1.053225 1.836843
H 1.817227 0.475013 1.565531
H 2.265373 2.281474 -2.052904
H -0.399748 3.030284 1.048697
H 1.252133 4.749120 0.660314
H 1.770069 4.668772 -1.051945
H 2.894220 4.160602 0.220992
H 3.547261 1.513872 0.398082
H -4.032525 1.961544 2.608534
H -4.022661 0.469704 3.584940
H -5.570003 1.083793 2.877195
H 5.466173 -1.398841 -0.146779
H 4.657039 -2.787310 0.642532
H 5.825685 -1.754776 1.563672


