%chk=000212967.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212967

0 1
O -2.528039 -1.985863 0.000026
O 4.604306 1.276994 0.000746
O 4.103212 3.495234 0.001393
C -1.919755 0.242439 -0.000001
C -0.713949 -0.562771 0.000184
C -2.205444 1.642636 -0.000101
C -2.990665 -0.668346 -0.000094
C -1.116415 -1.878440 0.000192
C -3.576899 2.027758 -0.000289
C 0.661634 -0.065123 0.000335
C -4.358703 -0.305305 -0.000286
C -4.626862 1.038581 -0.000379
C -0.421576 -3.163269 0.000415
C -1.195119 2.646773 -0.000023
C -3.899246 3.418045 -0.000390
C 1.316773 0.178414 1.220072
C 1.317215 0.177928 -1.219259
C -1.538922 3.978993 -0.000124
C -2.905252 4.369393 -0.000309
C -0.087864 -3.777177 1.217774
C -0.082675 -3.774748 -1.216734
C 2.624034 0.667653 1.230123
C 2.624480 0.667169 -1.229032
C 3.249213 0.895961 0.000613
C 0.589888 -4.999117 1.212938
C 0.595056 -4.996696 -1.211448
C 0.931735 -5.608121 0.000860
C 4.938330 2.631377 0.001001
C 6.422641 2.727570 0.000644
H -5.130399 -1.069725 -0.000356
H -5.658672 1.392145 -0.000527
H -0.147459 2.341275 0.000118
H -4.947677 3.713317 -0.000532
H 0.797408 -0.010067 2.160039
H 0.798188 -0.010911 -2.159338
H -0.768763 4.750166 -0.000062
H -3.149744 5.430200 -0.000384
H -0.358624 -3.301171 2.159629
H -0.349396 -3.296856 -2.158785
H 3.148584 0.865904 2.161750
H 3.149372 0.865033 -2.160546
H 0.851348 -5.477586 2.155600
H 0.860536 -5.473284 -2.153939
H 1.460435 -6.560262 0.001036
H 6.861500 2.224357 0.877696
H 6.748681 3.779343 0.009464
H 6.859547 2.240082 -0.886210


%chk=000212967-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212967

0 1
O -2.525912 -1.983656 0.330889
O 4.664223 1.377286 -0.544084
O 4.203292 3.473769 0.411371
C -1.914098 0.234437 0.110335
C -0.705789 -0.584460 0.063505
C -2.190596 1.651307 0.051864
C -2.992026 -0.665208 0.271054
C -1.105557 -1.916964 0.203276
C -3.583740 2.054537 0.146984
C 0.691120 -0.083860 -0.083484
C -4.351812 -0.293320 0.373874
C -4.629872 1.072576 0.304094
C -0.432925 -3.220167 0.205349
C -1.189578 2.665161 -0.085708
C -3.907562 3.448886 0.089233
C 1.513225 0.127719 1.055086
C 1.215440 0.217404 -1.368390
C -1.540624 4.019670 -0.133162
C -2.908854 4.417496 -0.048609
C -1.213919 -4.404885 0.326852
C 0.980102 -3.345337 0.081624
C 2.823374 0.633918 0.920341
C 2.524446 0.726168 -1.517192
C 3.311407 0.930036 -0.368427
C -0.602745 -5.674460 0.314959
C 1.585931 -4.619037 0.071284
C 0.801757 -5.790887 0.185424
C 5.013074 2.690069 -0.113190
C 6.475538 2.933450 -0.408116
H -5.134005 -1.046484 0.501253
H -5.665693 1.423924 0.372938
H -0.136936 2.378495 -0.149678
H -4.960754 3.747433 0.158752
H 1.116499 -0.100163 2.050070
H 0.589820 0.057252 -2.252687
H -0.758320 4.779980 -0.233672
H -3.171047 5.480445 -0.089480
H -2.300368 -4.318879 0.424661
H 1.608792 -2.455597 -0.001291
H 3.456909 0.800055 1.796944
H 2.935069 0.957867 -2.504745
H -1.223001 -6.573131 0.405585
H 2.674810 -4.693979 -0.024722
H 1.276880 -6.778166 0.175471
H 7.095443 2.170428 0.092992
H 6.764214 3.936566 -0.063327
H 6.660364 2.842209 -1.492597


