%chk=000199032.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000199032

0 1
O -2.020403 0.358800 2.121995
O 0.219978 -3.043188 -0.718198
O 1.609748 -2.843332 1.016516
C -0.747131 -0.339047 0.189490
C -1.464705 -0.710805 -1.128056
C -1.908647 0.520638 -1.922952
C -1.710714 0.592646 0.976489
C -2.858893 1.399132 -1.100792
C -2.220082 1.803266 0.231467
C -0.506500 -1.609936 1.040026
C 0.581407 0.378147 -0.003875
C 1.090013 1.185725 1.027758
C 1.332705 0.214983 -1.176038
C 0.565080 -2.511320 0.512209
C 2.316026 1.836659 0.874957
C 2.559726 0.868224 -1.326033
C 3.052594 1.684089 -0.304356
H -2.342724 -1.347698 -0.899486
H -0.800953 -1.354485 -1.744899
H -2.404649 0.200836 -2.859378
H -1.024690 1.112615 -2.234532
H -3.809734 0.861704 -0.913119
H -3.131968 2.306592 -1.673246
H -2.947022 2.355916 0.861414
H -1.374680 2.503267 0.057976
H -0.238540 -1.308398 2.083949
H -1.457427 -2.179331 1.145553
H 0.541255 1.298553 1.963626
H 0.968844 -0.431932 -1.975051
H 2.702182 2.459513 1.681083
H 3.134747 0.734602 -2.241261
H 4.008288 2.191433 -0.421244
H 0.913270 -3.663767 -1.067891


%chk=000199032-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000199032

0 1
O -2.127799 0.334488 2.128232
O 0.381379 -3.086660 -0.667428
O 1.658964 -2.739631 1.232436
C -0.776286 -0.342269 0.172756
C -1.518342 -0.701414 -1.161058
C -1.988725 0.530729 -1.966953
C -1.738687 0.599990 0.959880
C -2.920602 1.425866 -1.121828
C -2.226491 1.834118 0.209808
C -0.535959 -1.623130 1.046946
C 0.574051 0.387383 -0.035865
C 1.144886 1.110776 1.045462
C 1.307670 0.296601 -1.245186
C 0.612211 -2.499349 0.594797
C 2.403417 1.736126 0.918287
C 2.569789 0.919465 -1.374383
C 3.122542 1.644740 -0.295484
H -2.408497 -1.305928 -0.890985
H -0.880726 -1.365282 -1.769062
H -2.516980 0.187604 -2.877150
H -1.118886 1.125045 -2.306791
H -3.858133 0.881093 -0.892903
H -3.203211 2.337760 -1.680226
H -2.908295 2.398171 0.868641
H -1.355655 2.476460 -0.027105
H -0.325470 -1.316638 2.083069
H -1.465262 -2.222487 1.061991
H 0.606474 1.177006 1.999304
H 0.905168 -0.267857 -2.092100
H 2.824949 2.286801 1.766586
H 3.121959 0.834418 -2.317326
H 4.101172 2.126855 -0.396189
H 1.165774 -3.656749 -0.896071


