%chk=000236302.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000236302

0 1
O 0.448973 -0.455791 0.774070
O 0.598323 0.318566 -1.429029
C -1.548302 -0.073832 -0.506575
C 2.662814 0.196863 -0.087850
C -2.476347 -1.061227 0.243294
C -0.096416 -0.581406 -0.547021
C -1.601810 1.318515 0.154250
C 1.862285 -0.733255 0.855862
C 2.019207 0.089808 -1.496580
C -3.929792 -0.537607 0.198336
C 4.133152 -0.271355 -0.185423
C 2.562315 1.644570 0.401967
C -2.418519 -2.475488 -0.343945
C -2.995943 1.761544 0.465087
C -4.038375 0.925906 0.502576
C 4.860144 -0.313673 1.155281
H -1.892612 0.021596 -1.567058
H -2.142611 -1.099286 1.310706
H 0.035356 -1.620644 -0.905362
H -1.090165 2.048208 -0.506789
H -1.003967 1.301559 1.095251
H 2.031383 -1.799554 0.633969
H 2.071591 -0.534334 1.921860
H 2.351534 0.895495 -2.174619
H 2.199226 -0.890927 -1.967178
H -4.548213 -1.118463 0.911030
H -4.369409 -0.723607 -0.804317
H 4.678390 0.406163 -0.873559
H 4.177396 -1.273785 -0.655374
H 2.949630 1.761189 1.418652
H 3.108540 2.336423 -0.245300
H 1.505983 1.958539 0.411850
H -1.441474 -2.941870 -0.176687
H -3.164718 -3.127665 0.124534
H -2.612406 -2.480613 -1.421795
H -3.104117 2.823179 0.681117
H -5.041900 1.271191 0.743284
H 4.821925 0.655969 1.667096
H 4.431917 -1.060061 1.833093
H 5.918210 -0.567542 1.018897


%chk=000236302-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000236302

0 1
O 0.408361 -0.414242 0.800813
O 0.588333 0.628774 -1.367318
C -1.605132 0.008364 -0.516407
C 2.687546 0.210222 -0.045453
C -2.453878 -0.998758 0.316207
C -0.121496 -0.369930 -0.563494
C -1.791507 1.454053 0.014933
C 1.837043 -0.787688 0.789610
C 2.021186 0.288574 -1.450307
C -3.956942 -0.637540 0.181192
C 4.129966 -0.344048 -0.236822
C 2.683130 1.609668 0.613627
C -2.222553 -2.475675 -0.076146
C -3.247772 1.786421 0.268163
C -4.229459 0.848342 0.324464
C 4.959603 -0.517830 1.055337
H -1.963785 -0.028545 -1.566906
H -2.160127 -0.870794 1.377222
H 0.050975 -1.368479 -1.034170
H -1.358490 2.167765 -0.710755
H -1.202589 1.574374 0.947361
H 1.944702 -1.815914 0.371679
H 2.136513 -0.795906 1.849830
H 2.475203 1.083998 -2.065284
H 2.134957 -0.688043 -1.976189
H -4.533762 -1.197274 0.946004
H -4.337988 -0.996503 -0.800915
H 4.672988 0.338692 -0.922813
H 4.070526 -1.323094 -0.757746
H 3.062317 1.570314 1.650750
H 3.318440 2.313381 0.042835
H 1.656805 2.012736 0.641198
H -1.209398 -2.820272 0.197729
H -2.945749 -3.130439 0.445975
H -2.360504 -2.627599 -1.164917
H -3.501767 2.847346 0.404295
H -5.271810 1.157617 0.486264
H 5.095681 0.441186 1.585610
H 4.486942 -1.229702 1.756484
H 5.964690 -0.910254 0.815663


