%chk=000228261.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228261

0 1
O -1.104289 -0.017980 -1.586192
O 0.950501 2.250936 -0.831392
O -2.570384 -1.167570 -2.835996
O 4.884977 -1.354966 -0.358906
C -0.602456 0.031183 -0.176389
C -1.397144 -1.088248 0.500910
C -0.932213 1.421603 0.303198
C 0.869921 -0.311479 -0.199951
C -2.254378 -1.692087 -0.445888
C -2.073785 -1.013036 -1.755193
C -1.358883 -1.544812 1.808119
C -0.150464 2.546569 -0.071441
C -2.073161 1.659310 1.081237
C 1.482521 -0.754920 -1.387637
C 1.627175 -0.192269 0.971601
C -3.081661 -2.750872 -0.105736
C -2.196473 -2.620363 2.159349
C -3.044714 -3.213351 1.221847
C -0.489561 3.846871 0.340808
C 2.828610 -1.096258 -1.400974
C 2.983268 -0.532628 0.985314
C -2.416599 2.946699 1.501172
C 3.567617 -0.983312 -0.204663
C -1.624773 4.036479 1.127202
C 1.754020 3.344490 -1.341736
C 5.746904 -1.296751 0.802536
H -0.699693 -1.093038 2.546344
H -2.717522 0.824498 1.367956
H 0.889327 -0.817419 -2.305897
H 1.161871 0.178241 1.885577
H -3.738008 -3.209695 -0.846032
H -2.177850 -2.995234 3.183614
H -3.683744 -4.045085 1.516891
H 0.114081 4.700078 0.049822
H 3.320994 -1.443984 -2.306065
H 3.555213 -0.438768 1.900712
H -3.304873 3.099917 2.108623
H -1.896290 5.042414 1.449041
H 2.210220 3.899520 -0.518402
H 1.154001 3.985603 -1.993604
H 2.513605 2.798788 -1.919591
H 5.385631 -1.977467 1.578543
H 5.827327 -0.268393 1.165493
H 6.703135 -1.644115 0.389576


%chk=000228261-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228261

0 1
O -1.053485 0.085986 -1.659652
O 0.716749 2.373534 -1.160427
O -2.704717 -0.961768 -2.938653
O 4.962217 -1.616598 -0.090083
C -0.562753 0.056603 -0.214956
C -1.394045 -1.085552 0.390052
C -0.870727 1.438932 0.374874
C 0.927116 -0.316867 -0.199456
C -2.294131 -1.582569 -0.572887
C -2.112876 -0.846093 -1.850087
C -1.331857 -1.668405 1.669303
C -0.216265 2.599485 -0.150173
C -1.838325 1.623547 1.387198
C 1.513753 -1.043819 -1.264799
C 1.713517 -0.018875 0.934999
C -3.170666 -2.651735 -0.298185
C -2.207068 -2.742373 1.960154
C -3.123148 -3.229066 0.989613
C -0.530015 3.887543 0.347293
C 2.855177 -1.457253 -1.197937
C 3.063182 -0.429111 1.018814
C -2.154093 2.906300 1.890937
C 3.635477 -1.155472 -0.053705
C -1.496056 4.036930 1.366747
C 1.369780 3.527717 -1.780359
C 5.806301 -1.335612 1.072273
H -0.616219 -1.314556 2.418502
H -2.363354 0.751040 1.787277
H 0.922475 -1.258491 -2.159387
H 1.281923 0.561556 1.759285
H -3.854230 -3.015423 -1.072212
H -2.173485 -3.211222 2.949937
H -3.786600 -4.063065 1.242169
H -0.033105 4.773918 -0.057369
H 3.321436 -2.010928 -2.018636
H 3.647714 -0.175091 1.908119
H -2.909046 3.016204 2.675914
H -1.733187 5.038869 1.741828
H 1.967887 4.098997 -1.043662
H 0.628734 4.194822 -2.261209
H 2.033158 3.097127 -2.543943
H 5.395971 -1.799251 1.990956
H 5.927093 -0.245796 1.230456
H 6.781794 -1.785019 0.834877


