%chk=000185438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000185438

0 1
O -1.030049 -0.418009 0.586996
O 3.374166 2.969037 -0.615638
O -0.561154 2.577192 -0.449291
O -2.040034 -1.293632 2.410720
O -2.754893 1.676571 0.254021
O -4.916734 2.180908 -1.325257
O -6.707679 0.115817 -1.889162
C 3.491799 -0.623798 0.639076
C 2.055453 -0.952593 0.190443
C 4.013024 0.692603 -0.030239
C 4.530245 -1.719796 0.335640
C 5.709013 -1.058542 -0.431831
C 1.230905 0.327012 0.364394
C 1.092010 -1.640631 1.218352
C 5.117851 0.258024 -1.008123
C 0.242116 -0.341251 1.281744
C 2.951549 1.591434 -0.724221
C 1.592306 1.534406 -0.054027
C 1.951129 -1.561349 -1.199846
C 6.867104 -0.745930 0.530246
C 6.214689 -1.968627 -1.559912
C 0.762236 2.777260 0.069760
C -2.141558 -0.823811 1.302026
C -3.348804 -0.604918 0.482024
C -4.257350 -1.663964 0.240721
C -3.609630 0.672079 -0.054614
C -5.389605 -1.448203 -0.553415
C -4.754818 0.893331 -0.854560
C -3.999506 -3.011474 0.819545
C -5.628423 -0.177322 -1.096866
H 3.468368 -0.451927 1.742247
H 4.465970 1.314630 0.781686
H 4.876895 -2.197806 1.266054
H 4.087706 -2.537123 -0.259949
H 1.545773 -1.930015 2.169800
H 0.554715 -2.510128 0.826405
H 4.705417 0.078197 -2.016510
H 5.890390 1.032301 -1.125951
H 0.082402 0.101358 2.277812
H 2.847269 1.351060 -1.808077
H 2.281907 -2.606289 -1.202107
H 0.915345 -1.538183 -1.565429
H 2.566524 -1.017621 -1.925499
H 7.691442 -0.239799 0.018043
H 6.540547 -0.096831 1.349809
H 7.275406 -1.658238 0.977055
H 6.612971 -2.909276 -1.164553
H 5.417949 -2.222660 -2.266696
H 7.018358 -1.490195 -2.129531
H 1.159343 3.616304 -0.539899
H 0.674891 3.099588 1.125953
H 4.231819 3.096168 -1.062835
H -0.890124 1.662991 -0.211361
H -6.082016 -2.261789 -0.745784
H -3.185725 -3.526609 0.285569
H -4.876312 -3.670672 0.789519
H -3.685492 -2.945079 1.879521
H -2.961553 2.531505 -0.250912
H -5.699420 2.218592 -1.941106
H -7.293624 -0.673882 -2.023675


%chk=000185438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000185438

0 1
O -1.044042 -0.350451 0.479890
O 3.578322 2.982871 -0.670127
O -0.272809 2.865341 -0.613656
O -2.054108 -1.347709 2.324443
O -2.786767 1.662496 -0.253090
O -5.080655 2.010442 -1.601828
O -7.023356 0.059825 -1.711999
C 3.572179 -0.797491 0.413231
C 2.057098 -0.987562 0.091139
C 4.108470 0.630225 -0.048502
C 4.573885 -1.825656 -0.188120
C 5.894784 -1.040590 -0.461046
C 1.324579 0.325520 0.370857
C 1.097850 -1.650562 1.175106
C 5.336716 0.331021 -0.950798
C 0.257123 -0.320590 1.227233
C 3.070194 1.596124 -0.705545
C 1.734880 1.569480 0.035166
C 1.758865 -1.536123 -1.325240
C 6.713236 -0.862562 0.845790
C 6.773418 -1.729671 -1.528446
C 0.903317 2.818386 0.275156
C -2.153604 -0.815628 1.189514
C -3.420126 -0.624384 0.422047
C -4.414458 -1.656390 0.419281
C -3.678498 0.588902 -0.275714
C -5.619476 -1.461660 -0.294815
C -4.895984 0.769358 -0.967666
C -4.201514 -2.970970 1.150433
C -5.858430 -0.253288 -0.982320
H 3.653596 -0.827643 1.517471
H 4.444569 1.171750 0.856777
H 4.734385 -2.693808 0.478307
H 4.196194 -2.217541 -1.151032
H 1.587411 -1.862161 2.141291
H 0.539774 -2.542026 0.845564
H 5.010741 0.231708 -2.008413
H 6.108680 1.123704 -0.911387
H 0.054233 0.094685 2.229447
H 2.916240 1.300041 -1.768583
H 2.042890 -2.601957 -1.407901
H 0.678676 -1.454480 -1.540474
H 2.301752 -0.975237 -2.108706
H 7.605592 -0.232804 0.667482
H 6.118187 -0.385057 1.645288
H 7.060695 -1.842402 1.224223
H 7.103146 -2.729393 -1.186975
H 6.218657 -1.861794 -2.476865
H 7.681178 -1.134726 -1.745492
H 1.488665 3.716940 0.036157
H 0.582983 2.863651 1.338954
H 4.402806 3.027868 -1.215908
H -0.871058 2.091727 -0.414450
H -6.370595 -2.260297 -0.308988
H -3.261953 -3.463794 0.840528
H -5.034650 -3.666181 0.952398
H -4.119350 -2.811071 2.238828
H -3.185259 2.432761 -0.742608
H -5.963274 2.032522 -2.050694
H -7.683499 -0.673295 -1.686308


