%chk=000183512.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000183512

0 1
O 1.486158 -1.862124 -0.677670
O 2.801166 -2.379766 1.085206
O -2.777378 0.609651 0.598548
C 3.386369 -0.460785 -0.330516
C 2.625874 0.828767 0.028515
C 3.691125 -0.559131 -1.850713
C 2.567563 1.065456 1.542992
C 1.891827 2.396541 1.896233
C 0.372302 2.397952 1.622812
C 4.640477 0.563979 -2.281100
C 4.298510 -1.925057 -2.191277
C 2.580726 -1.654201 0.144851
C -0.172219 3.833757 1.655019
C -0.378678 1.521618 2.630772
C 0.576783 -2.943693 -0.326654
C -0.607249 -2.388977 0.418843
C -1.120566 -1.132026 0.075701
C -1.205186 -3.146920 1.435774
C -2.235937 -0.663533 0.775305
C -2.322187 -2.649264 2.117619
C -2.856605 -1.402157 1.794873
C -2.725306 1.210886 -0.662372
C -2.961454 0.508159 -1.849124
C -2.525563 2.597986 -0.629932
C -3.004103 1.233800 -3.042774
C -2.580508 3.297312 -1.835945
C -2.816562 2.620312 -3.039363
H 4.357828 -0.484314 0.230975
H 1.598375 0.790367 -0.389381
H 3.118189 1.691254 -0.466359
H 2.723830 -0.451642 -2.404478
H 3.590871 1.053317 1.966778
H 2.032378 0.229454 2.039197
H 2.073912 2.624285 2.964364
H 2.372008 3.219213 1.333141
H 0.196036 1.981588 0.598033
H 4.236785 1.553056 -2.031003
H 4.808504 0.543779 -3.363766
H 5.620362 0.477822 -1.798286
H 3.582805 -2.738652 -2.022770
H 4.593769 -1.973555 -3.245673
H 5.192607 -2.139223 -1.595504
H -0.068518 4.284203 2.647310
H 0.347030 4.479613 0.940817
H -1.241812 3.847377 1.396963
H -0.295082 1.905518 3.651501
H 0.006969 0.495035 2.631286
H -1.447094 1.462559 2.382730
H 0.286849 -3.340218 -1.319501
H 1.126097 -3.715199 0.249791
H -0.639067 -0.534828 -0.698395
H -0.797519 -4.118151 1.708650
H -2.779739 -3.242576 2.910047
H -3.722182 -0.995524 2.312311
H -3.117534 -0.567684 -1.839247
H -2.325531 3.101227 0.320659
H -3.189052 0.712470 -3.981905
H -2.433869 4.377277 -1.839871
H -2.854780 3.175207 -3.974138


%chk=000183512-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000183512

0 1
O 1.558575 -1.197020 -0.995109
O 2.420312 -2.842604 0.417166
O -3.633962 0.791997 0.267346
C 3.770916 -0.823786 -0.098352
C 3.377857 0.541186 0.538779
C 4.431922 -0.675993 -1.511890
C 2.688462 0.407729 1.917262
C 2.516470 1.758331 2.655452
C 1.676966 2.836993 1.915214
C 5.730716 0.162044 -1.441591
C 4.730959 -2.060370 -2.137751
C 2.552741 -1.741233 -0.166819
C 1.639827 4.140540 2.748521
C 0.242424 2.348427 1.604185
C 0.292328 -2.000628 -1.146632
C -0.747484 -1.590320 -0.126069
C -1.722242 -0.619732 -0.462458
C -0.745791 -2.166764 1.171236
C -2.684954 -0.234717 0.497825
C -1.707716 -1.761175 2.122713
C -2.684259 -0.796075 1.793011
C -4.215714 0.982354 -1.012832
C -4.545471 -0.091424 -1.873282
C -4.549595 2.313246 -1.346307
C -5.209536 0.185747 -3.089092
C -5.217034 2.573508 -2.562965
C -5.546270 1.513894 -3.441240
H 4.487744 -1.340949 0.570955
H 2.719197 1.082056 -0.166901
H 4.296451 1.146647 0.661128
H 3.703096 -0.149127 -2.160397
H 3.290813 -0.270061 2.556838
H 1.701533 -0.081014 1.798120
H 2.043356 1.568159 3.642088
H 3.522103 2.180616 2.867305
H 2.179142 3.067114 0.951840
H 5.544141 1.204297 -1.129171
H 6.216592 0.194714 -2.434204
H 6.451346 -0.286568 -0.730266
H 3.814722 -2.665506 -2.264016
H 5.194352 -1.943007 -3.134556
H 5.430387 -2.637639 -1.503216
H 1.136672 3.967659 3.719912
H 2.660246 4.513774 2.958975
H 1.086434 4.939358 2.220220
H -0.284162 2.063530 2.536083
H 0.236170 1.470179 0.934107
H -0.348558 3.145590 1.115111
H -0.026190 -1.769236 -2.175178
H 0.556802 -3.067779 -1.048632
H -1.719824 -0.157748 -1.455850
H 0.015587 -2.911809 1.424411
H -1.704283 -2.203028 3.124891
H -3.439725 -0.469554 2.513820
H -4.302155 -1.121112 -1.593022
H -4.287228 3.115887 -0.650697
H -5.471953 -0.642445 -3.756811
H -5.477750 3.604887 -2.824626
H -6.062703 1.719555 -4.384681


