%chk=000186447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000186447

0 1
O 0.187398 0.806791 -0.830699
O -1.159144 -3.230471 0.765793
O -3.562204 3.830150 1.079406
O -4.241747 1.714656 1.314826
O 1.535527 1.066277 -2.628141
O 0.519641 -1.476861 1.584701
O 0.897234 -2.210717 -0.490610
C -2.192289 0.940746 -0.728485
C -2.221878 -0.302662 0.180698
C -2.381444 -1.605668 -0.605594
C -2.145687 2.229235 0.116688
C -0.993936 0.924390 -1.689545
C -2.481946 -2.828199 0.316657
C -3.117465 -4.027203 -0.375983
C -3.408907 2.473583 0.878237
C 1.415255 0.817820 -1.453683
C 2.472862 0.532777 -0.441942
C 2.370490 -0.531103 0.468679
C 3.600810 1.364334 -0.422275
C 3.381998 -0.744233 1.413058
C 4.613709 1.141425 0.515515
C 4.502222 0.093278 1.433821
C 1.212104 -1.473700 0.432142
H -3.120923 0.953582 -1.356535
H -1.289926 -0.336528 0.786459
H -3.057965 -0.195835 0.907570
H -3.280358 -1.550882 -1.250517
H -1.519623 -1.740943 -1.295521
H -1.288858 2.175307 0.832624
H -1.912391 3.112744 -0.520005
H -0.894806 1.846748 -2.287169
H -1.000001 0.048649 -2.363252
H -2.989030 -2.597456 1.281783
H -2.662686 -4.238101 -1.350748
H -4.191631 -3.880680 -0.535421
H -2.995001 -4.933281 0.234591
H -0.536826 -3.351471 -0.019960
H -4.376841 4.052908 1.603866
H 3.687379 2.179759 -1.144629
H 3.289988 -1.560034 2.133602
H 5.491785 1.788349 0.528406
H 5.289911 -0.074613 2.169682
H -0.334404 -2.138765 1.536213


%chk=000186447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000186447

0 1
O 0.243933 0.776789 -0.789504
O -1.115268 -3.156481 0.582342
O -3.376980 3.688404 1.516759
O -4.599827 2.040789 0.435416
O 1.659253 1.346508 -2.559816
O 0.771023 -1.791817 1.624533
O 0.972416 -1.988214 -0.678889
C -2.189346 0.915326 -0.767009
C -2.324123 -0.313239 0.176864
C -2.730123 -1.619803 -0.542370
C -2.156405 2.235536 0.038073
C -0.952822 0.828647 -1.674918
C -2.561162 -2.886068 0.329562
C -3.202011 -4.135697 -0.292826
C -3.496806 2.592703 0.649283
C 1.495427 0.923605 -1.392352
C 2.584749 0.583201 -0.422379
C 2.458589 -0.476452 0.521737
C 3.745862 1.391263 -0.417730
C 3.464979 -0.666483 1.497095
C 4.759668 1.178407 0.541045
C 4.610815 0.159243 1.509696
C 1.339767 -1.467332 0.422759
H -3.074914 0.942820 -1.435709
H -1.366232 -0.450125 0.710818
H -3.093161 -0.087116 0.939340
H -3.790192 -1.550067 -0.857082
H -2.137933 -1.764360 -1.470110
H -1.396522 2.191436 0.839354
H -1.858839 3.086356 -0.607713
H -0.864206 1.702383 -2.346327
H -0.942991 -0.089746 -2.289429
H -2.976105 -2.711261 1.339301
H -2.814988 -4.312717 -1.313846
H -4.299364 -4.018463 -0.357693
H -2.980097 -5.024479 0.321596
H -0.577719 -3.050210 -0.262241
H -4.274835 3.915446 1.883384
H 3.833075 2.190198 -1.161128
H 3.348632 -1.470981 2.229514
H 5.653750 1.810548 0.539733
H 5.387808 0.000370 2.264906
H -0.066381 -2.404764 1.450264


