%chk=000258637.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258637

0 1
O 0.874473 -1.461890 -1.060401
O 0.704793 0.362921 -2.366621
C 0.042119 0.537478 0.003970
C 1.131673 1.595334 0.349303
C -0.134303 -0.462034 1.173683
C -1.282002 1.248703 -0.266231
C 0.552940 -0.146011 -1.278796
C 2.509837 1.028563 0.552142
C -1.401344 -1.274618 1.116216
C -2.091083 0.909911 -1.359965
C -1.722746 2.241071 0.626116
C 2.921670 0.587556 1.818897
C -2.558934 -0.825364 1.772042
C 3.407202 0.969893 -0.525930
C -1.428233 -2.501693 0.437347
C -3.311154 1.562234 -1.564878
C -2.941078 2.890849 0.418496
C -3.739336 2.554363 -0.679393
C 1.436029 -2.227160 -2.177400
C 4.214010 0.087345 2.001132
C -3.725035 -1.594239 1.745025
C 4.698816 0.472513 -0.337592
C -2.596175 -3.267954 0.412917
C 5.105057 0.029031 0.925153
C -3.746823 -2.817432 1.067186
C 2.902806 -1.893566 -2.343877
H 1.148635 2.356098 -0.465259
H 0.819343 2.158249 1.254414
H -0.098452 0.098687 2.130614
H 0.749519 -1.140971 1.200135
H -1.781263 0.139556 -2.066942
H -1.115104 2.509256 1.489372
H 2.238662 0.635341 2.664194
H -2.554508 0.130828 2.291881
H 3.091906 1.309601 -1.514039
H -0.532078 -2.851836 -0.077182
H -3.928481 1.291564 -2.420504
H -3.269727 3.661011 1.114067
H -4.688090 3.061207 -0.841862
H 0.843166 -2.011776 -3.083927
H 1.261498 -3.260199 -1.825930
H 4.527688 -0.255778 2.985743
H -4.619853 -1.237952 2.251980
H 5.391597 0.433494 -1.176806
H -2.609226 -4.218504 -0.116705
H 6.111565 -0.357126 1.070449
H -4.655221 -3.414686 1.048347
H 3.422941 -1.882213 -1.374945
H 3.035594 -0.895376 -2.787066
H 3.410511 -2.616681 -2.991371


%chk=000258637-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258637

0 1
O 0.746767 -1.384050 -1.096042
O 0.690848 0.574761 -2.342332
C -0.008508 0.651850 0.031449
C 1.154239 1.663097 0.430183
C -0.251741 -0.350142 1.223553
C -1.298887 1.458048 -0.257307
C 0.489780 -0.029379 -1.261112
C 2.552642 1.075407 0.563491
C -1.406920 -1.342970 1.112563
C -2.147904 1.145902 -1.348482
C -1.709530 2.488158 0.630048
C 3.005799 0.513497 1.786549
C -2.747328 -0.941120 1.356759
C 3.456537 1.122897 -0.530840
C -1.159843 -2.713871 0.839921
C -3.362426 1.837440 -1.549514
C -2.922983 3.183341 0.432884
C -3.758908 2.860631 -0.660178
C 1.242310 -2.144250 -2.288111
C 4.314896 -0.003282 1.908858
C -3.807236 -1.874176 1.309644
C 4.768324 0.611815 -0.411267
C -2.215694 -3.651695 0.796330
C 5.201819 0.042133 0.808260
C -3.547138 -3.234730 1.026993
C 2.758990 -2.327181 -2.207768
H 1.155670 2.457614 -0.337039
H 0.867452 2.126708 1.391286
H -0.420882 0.287699 2.114096
H 0.688445 -0.902402 1.391122
H -1.863863 0.362058 -2.056781
H -1.088760 2.758666 1.491415
H 2.334448 0.494059 2.654072
H -2.964151 0.108197 1.586210
H 3.125641 1.567165 -1.477109
H -0.129859 -3.039281 0.659403
H -3.999092 1.574028 -2.401561
H -3.213128 3.975535 1.132560
H -4.700576 3.398630 -0.816128
H 0.944702 -1.595546 -3.198499
H 0.703990 -3.104768 -2.227969
H 4.645904 -0.430062 2.862548
H -4.833606 -1.539444 1.499310
H 5.453991 0.666604 -1.264766
H -1.999821 -4.706472 0.589411
H 6.220691 -0.349895 0.903954
H -4.368109 -3.960266 0.995401
H 3.050330 -2.811533 -1.259947
H 3.277069 -1.356733 -2.273414
H 3.099410 -2.965097 -3.044908


