%chk=000259040.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000259040

0 1
O -4.217939 1.050085 1.033283
O -4.731323 -0.470759 -0.614648
O 6.227569 0.159185 0.033834
C -2.326751 0.181470 -0.346996
C -1.553675 -1.155659 -0.136002
C -3.710621 -0.105428 0.336235
C -2.097798 -1.752058 1.188052
C -3.544273 -1.264460 1.327102
C -1.626692 1.322110 0.414581
C -0.053587 -1.018172 -0.101642
C -2.486117 0.507745 -1.829782
C -0.171055 1.490729 -0.025103
C 0.597803 0.196967 -0.036164
C -5.316898 1.634966 0.300871
C -5.670391 0.613353 -0.787249
C 0.703664 -2.234310 -0.141540
C 2.040097 0.242809 -0.013343
C 2.777628 -0.973367 -0.055216
C 2.070240 -2.219071 -0.118906
C 2.766607 1.471095 0.050722
C 4.198530 -0.947917 -0.036379
C 4.140820 1.502306 0.068586
C 4.852558 0.270021 0.023153
C 7.009286 1.374703 0.098360
H -1.825224 -1.844973 -0.975425
H -1.485552 -1.412105 2.043512
H -2.037172 -2.851772 1.181863
H -4.273470 -2.062664 1.091502
H -3.774711 -0.926165 2.353502
H -1.668982 1.114347 1.503981
H -2.184435 2.267479 0.275814
H -1.518127 0.489697 -2.344032
H -3.141756 -0.221187 -2.326867
H -2.926363 1.498099 -1.979909
H 0.319510 2.229514 0.642954
H -0.132949 1.930399 -1.045648
H -4.962092 2.600473 -0.093907
H -6.109005 1.792207 1.050917
H -6.664704 0.152206 -0.670245
H -5.539232 0.991484 -1.813744
H 0.163237 -3.180017 -0.191874
H 2.644830 -3.142703 -0.150096
H 2.209920 2.409909 0.089917
H 4.765545 -1.874769 -0.068393
H 4.673420 2.445885 0.117567
H 6.803055 1.912022 1.028182
H 6.824799 1.994247 -0.783611
H 8.034375 0.980744 0.092829


%chk=000259040-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000259040

0 1
O -4.510421 1.275384 0.608496
O -4.492362 -0.606236 -0.829122
O 6.355517 0.025631 -0.097564
C -2.289783 0.387229 -0.286201
C -1.594169 -0.997321 -0.131270
C -3.720900 0.071581 0.242063
C -2.185238 -1.606962 1.200504
C -3.532977 -0.866151 1.457663
C -1.593314 1.391122 0.674756
C -0.073629 -0.936991 -0.146105
C -2.288668 0.918975 -1.732685
C -0.096234 1.566568 0.340206
C 0.638724 0.253383 0.084531
C -5.708844 1.319906 -0.259166
C -5.887146 -0.149567 -0.679488
C 0.643246 -2.156996 -0.397792
C 2.086992 0.238440 0.044760
C 2.794887 -1.004288 -0.202810
C 2.032158 -2.201312 -0.420020
C 2.876905 1.418650 0.234129
C 4.221041 -1.020139 -0.238494
C 4.274801 1.391888 0.193003
C 4.955447 0.155335 -0.043192
C 7.159973 1.233987 0.088475
H -1.927268 -1.639755 -0.971283
H -1.479747 -1.446808 2.034837
H -2.324645 -2.697020 1.098365
H -4.391738 -1.554125 1.542360
H -3.498177 -0.260900 2.379660
H -1.684522 1.035049 1.718525
H -2.110540 2.366409 0.626816
H -1.257438 1.034069 -2.110331
H -2.825977 0.227745 -2.402448
H -2.784371 1.907113 -1.784005
H 0.383919 2.108609 1.178097
H 0.019160 2.223633 -0.546885
H -5.522923 1.972031 -1.134475
H -6.542300 1.718292 0.342524
H -6.410789 -0.733889 0.104548
H -6.382889 -0.289268 -1.652567
H 0.064327 -3.071148 -0.580782
H 2.560242 -3.142216 -0.613962
H 2.380946 2.377917 0.411463
H 4.757482 -1.956772 -0.422929
H 4.835933 2.319360 0.342075
H 6.994719 1.683182 1.087535
H 6.949141 1.987392 -0.695776
H 8.204049 0.897684 0.004558


