%chk=000291777.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291777

0 1
O -0.547969 2.641192 0.823950
O -1.382657 -3.798546 0.089697
O 0.775999 2.562004 -1.002753
O -3.291461 -2.685979 -0.381979
O 6.417773 -0.050478 0.132413
N 0.208330 -1.686344 -0.085053
C -1.453866 -0.119083 -0.147098
C 0.828746 -0.453469 -0.086579
C -0.186277 0.537492 -0.126597
C -1.192556 -1.504470 -0.134229
C 2.281937 -0.317903 -0.049932
C -2.774645 0.511179 -0.189702
C 0.080954 1.972524 -0.200959
C -2.103850 -2.639631 -0.163334
C 2.927609 0.543757 -0.952383
C 3.041717 -1.044043 0.892094
C -3.118440 1.497377 0.749399
C -3.709916 0.123704 -1.164749
C 4.316995 0.673793 -0.940262
C 4.423110 -0.928479 0.921847
C 5.052323 -0.065281 -0.004169
C -4.377913 2.099578 0.702471
C -4.965878 0.733248 -1.209051
C -5.301006 1.721590 -0.277720
C -0.460421 4.102601 0.840463
C -2.142150 -5.056887 0.086706
C -1.462629 4.676372 -0.139227
C -1.102868 -6.111264 0.399784
C 7.180951 0.813132 -0.747112
H 0.646196 -2.595313 -0.053671
H 2.331953 1.130763 -1.665634
H 2.539821 -1.691673 1.612411
H -2.393549 1.794072 1.513297
H -3.460698 -0.666445 -1.874513
H 4.799747 1.345316 -1.643523
H 5.030286 -1.475540 1.639880
H -4.641373 2.860220 1.434478
H -5.687192 0.429705 -1.965689
H -6.281991 2.191695 -0.312712
H 0.578912 4.398807 0.612476
H -0.708643 4.313568 1.896092
H -2.599726 -5.167461 -0.911571
H -2.931232 -4.971101 0.854173
H -1.578983 5.758001 -0.012565
H -1.151744 4.493894 -1.178796
H -2.451806 4.211578 -0.018339
H -0.617239 -5.921432 1.366835
H -0.308366 -6.132740 -0.357951
H -1.554682 -7.110195 0.441573
H 8.208346 0.623272 -0.408898
H 7.047546 0.507491 -1.788719
H 6.902378 1.858930 -0.587566


%chk=000291777-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291777

0 1
O -0.844873 2.836727 0.683718
O -1.238921 -3.728934 0.123337
O 0.924822 2.726550 -0.822970
O -3.287724 -2.580232 0.145486
O 6.591327 -0.487411 0.032885
N 0.228185 -1.535517 0.002903
C -1.441617 0.005508 0.028971
C 0.871928 -0.313737 -0.059359
C -0.161647 0.680000 -0.041627
C -1.161284 -1.379891 0.039884
C 2.346455 -0.276883 -0.042396
C -2.810007 0.595480 -0.017548
C 0.053567 2.138271 -0.124957
C -2.034897 -2.549640 0.105264
C 3.105227 0.698779 -0.741979
C 3.058608 -1.290029 0.673091
C -3.345961 1.325614 1.073954
C -3.615452 0.400660 -1.169878
C 4.515141 0.665845 -0.740429
C 4.460141 -1.333330 0.678891
C 5.199013 -0.354292 -0.034188
C -4.655413 1.850078 1.012793
C -4.920052 0.935612 -1.237262
C -5.446528 1.661760 -0.144448
C -0.840344 4.326780 0.557134
C -1.996441 -5.010665 0.191065
C -1.721998 4.769416 -0.614858
C -0.968729 -6.138094 0.193304
C 7.404039 0.510966 -0.669278
H 0.672267 -2.453825 -0.017307
H 2.579865 1.488991 -1.284029
H 2.510058 -2.027583 1.271438
H -2.731325 1.481408 1.965182
H -3.215976 -0.173460 -2.013240
H 5.061732 1.434287 -1.294775
H 5.005104 -2.100143 1.237408
H -5.058417 2.402802 1.869117
H -5.526518 0.777473 -2.136131
H -6.462738 2.069771 -0.191270
H 0.202813 4.666804 0.433628
H -1.240351 4.665873 1.526196
H -2.675637 -5.060338 -0.679457
H -2.615706 -5.001482 1.106393
H -1.803762 5.872490 -0.625278
H -1.287728 4.447365 -1.576182
H -2.735845 4.343747 -0.521419
H -0.297186 -6.061043 1.065898
H -0.355651 -6.117465 -0.724293
H -1.485829 -7.113787 0.241168
H 8.446365 0.218828 -0.475704
H 7.207164 0.494627 -1.758593
H 7.220642 1.528368 -0.273248


