%chk=000187808.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000187808

0 1
O 3.449041 -0.778695 -1.431386
O 2.845254 0.901161 0.073434
O 6.945497 0.797741 0.163170
O 6.373791 -1.983295 0.380904
O 5.219788 1.813618 -2.208769
O 3.807661 -3.395482 1.078315
O -1.386693 -0.784474 -1.408755
O 1.575675 2.200506 2.192983
O -3.286561 0.806270 1.875305
O -9.058426 -0.729696 -0.157599
C 5.972108 0.110877 -0.632517
C 5.330433 -1.018448 0.197382
C 4.920711 1.192678 -0.954474
C 4.173469 -1.686912 -0.572177
C 3.511727 0.602641 -1.189990
C 3.150752 -2.326913 0.384275
C 1.486231 0.748952 0.179173
C 0.893290 1.364032 1.329642
C 0.709560 0.021037 -0.716528
C -0.670527 -0.057639 -0.465199
C -1.283168 0.529933 0.646279
C -0.472820 1.241959 1.556063
C -2.741307 0.395116 0.872724
C -3.452267 -0.314874 -0.229846
C -2.757836 -0.860079 -1.251041
C -4.918991 -0.413522 -0.182743
C 2.769197 1.637177 2.797286
C -5.572758 -0.697028 1.030010
C -5.678551 -0.216730 -1.353660
C -6.961920 -0.813797 1.078570
C -7.065158 -0.327439 -1.328905
C -7.688688 -0.629499 -0.106225
H 6.465527 -0.281184 -1.551354
H 5.010879 -0.641085 1.196863
H 4.903147 1.968872 -0.146306
H 4.571964 -2.432524 -1.303116
H 2.972572 1.046882 -2.057687
H 2.256471 -2.683776 -0.154560
H 2.831678 -1.636013 1.189076
H 7.608597 0.147352 0.505066
H 6.039592 -2.708559 0.973598
H 6.049334 2.342839 -2.126396
H 3.779548 -4.218581 0.545899
H 1.136510 -0.479748 -1.586690
H -0.931199 1.710913 2.435468
H -3.136606 -1.434074 -2.095209
H 3.527650 1.446625 2.029968
H 2.520297 0.733667 3.357843
H 3.080281 2.448237 3.467674
H -4.986965 -0.810189 1.947261
H -5.181904 0.038789 -2.289592
H -7.461989 -1.032122 2.016649
H -7.669883 -0.179238 -2.220575
H -9.451015 -0.919060 0.729615


%chk=000187808-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000187808

0 1
O 3.493069 -0.912149 -1.372706
O 2.838705 0.792793 0.221920
O 7.158977 0.925307 -0.492573
O 6.753953 -1.724591 0.312066
O 4.927189 1.974108 -2.311007
O 4.605898 -3.364619 1.269113
O -1.494716 -0.776440 -1.361318
O 1.572210 2.012385 2.427588
O -3.415363 1.000296 1.911496
O -9.314963 -0.621198 -0.386050
C 5.979089 0.187748 -0.940022
C 5.572217 -0.896215 0.062464
C 4.838138 1.205755 -1.069607
C 4.429297 -1.737051 -0.553384
C 3.457628 0.509675 -1.096838
C 3.645525 -2.508996 0.523494
C 1.445200 0.639559 0.345940
C 0.841630 1.251025 1.501814
C 0.649379 -0.044864 -0.592391
C -0.745128 -0.081472 -0.394888
C -1.377229 0.527414 0.716462
C -0.548628 1.187035 1.661758
C -2.851170 0.475676 0.893826
C -3.594294 -0.219730 -0.194838
C -2.876369 -0.816082 -1.212920
C -5.078996 -0.296010 -0.211751
C 2.668944 1.335583 3.150315
C -5.832889 -0.382788 0.991026
C -5.791475 -0.297201 -1.446563
C -7.237269 -0.494063 0.960322
C -7.192307 -0.410979 -1.489626
C -7.917833 -0.514629 -0.280597
H 6.170704 -0.284612 -1.926907
H 5.233778 -0.422017 1.009191
H 4.881065 1.873958 -0.186008
H 4.877152 -2.443830 -1.277901
H 2.837894 0.938932 -1.902531
H 2.833339 -3.108419 0.072436
H 3.214389 -1.816809 1.264774
H 7.828708 0.254075 -0.197153
H 6.458159 -2.448979 0.930788
H 5.807210 2.429530 -2.325690
H 4.604616 -4.277989 0.890788
H 1.085073 -0.557649 -1.452437
H -1.016670 1.668192 2.525269
H -3.323216 -1.406209 -2.015344
H 3.458820 1.002031 2.455868
H 2.276303 0.476306 3.727763
H 3.066004 2.096253 3.838738
H -5.313324 -0.346913 1.950403
H -5.246702 -0.170549 -2.389455
H -7.797566 -0.559760 1.902160
H -7.737723 -0.401060 -2.437676
H -9.733431 -0.662566 0.509595


