%chk=000188166.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000188166

0 1
O -0.001264 -2.467737 3.091734
O 2.224357 -0.898143 0.861387
O -2.225268 -0.896504 0.860889
O 3.373974 1.404508 0.093535
O -3.372863 1.407083 0.092819
N 0.000982 2.429898 -0.072904
C 1.167316 2.259784 0.606991
C -1.165638 2.260637 0.606714
C 1.222748 -1.783177 2.774101
C -1.224691 -1.782247 2.773845
C 1.681758 -2.157860 1.362019
C -1.683721 -2.156622 1.361681
C 2.435421 2.479138 -0.183399
C -2.433394 2.480950 -0.183970
C 2.777412 -0.901850 -0.394513
C -2.778099 -0.899767 -0.395123
C 3.324364 0.344350 -0.806492
C -3.323965 0.346884 -0.807199
C 1.207543 1.931159 1.974702
C -1.206429 1.932044 1.974417
C 0.000418 1.771698 2.658982
C 2.840195 -2.004138 -1.254280
C -2.841634 -2.002000 -1.254920
C 3.910271 0.473203 -2.065291
C -3.909547 0.476222 -2.066098
C 3.432741 -1.858327 -2.515535
C -3.433844 -1.855694 -2.516278
C 3.964257 -0.634454 -2.921590
C -3.964289 -0.631385 -2.922416
H 1.909533 -2.165411 3.553321
H 1.119915 -0.684962 2.874798
H -1.121033 -0.684108 2.874530
H -1.911917 -2.163929 3.552946
H 2.472727 -2.924087 1.351989
H 0.829619 -2.466782 0.723000
H -0.831690 -2.466223 0.722845
H -2.475267 -2.922255 1.351536
H 2.987593 3.366734 0.184990
H 2.246991 2.574494 -1.268524
H -2.984939 3.369009 0.184243
H -2.244650 2.576092 -1.269059
H 2.169132 1.786843 2.465888
H -2.168241 1.788439 2.465375
H 0.000204 1.531324 3.721870
H 2.433703 -2.967734 -0.965139
H -2.435986 -2.965936 -0.965727
H 4.331173 1.431457 -2.366303
H -4.329611 1.434821 -2.367180
H 3.475531 -2.717781 -3.184390
H -3.477219 -2.715107 -3.185149
H 4.423830 -0.534353 -3.902380
H -4.423609 -0.530901 -3.903285


%chk=000188166-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000188166

0 1
O -0.001373 -2.707565 3.010169
O 2.516981 -0.982443 0.969311
O -2.517792 -0.980395 0.968724
O 3.454929 1.462420 0.107857
O -3.453643 1.465125 0.106901
N 0.001107 2.466271 -0.102573
C 1.175781 2.344963 0.589431
C -1.173903 2.345847 0.589015
C 1.240074 -1.955808 2.763028
C -1.242114 -1.954719 2.762791
C 1.829166 -2.225268 1.362067
C -1.831309 -2.223853 1.361811
C 2.457048 2.520781 -0.209151
C -2.454763 2.522575 -0.210024
C 3.040162 -0.920748 -0.330275
C -3.040799 -0.918433 -0.330917
C 3.489299 0.357901 -0.776175
C -3.488820 0.360539 -0.777013
C 1.218224 2.093025 1.981925
C -1.217026 2.093962 1.981496
C 0.000427 1.969092 2.686047
C 3.132399 -2.032000 -1.205174
C -3.133897 -2.029714 -1.205687
C 4.023446 0.499834 -2.073821
C -4.022715 0.502770 -2.074729
C 3.665012 -1.874018 -2.505090
C -3.666243 -1.871435 -2.505677
C 4.112357 -0.610128 -2.944814
C -4.112474 -0.607221 -2.945600
H 1.941746 -2.274343 3.552145
H 1.067060 -0.866008 2.854937
H -1.068117 -0.865066 2.854558
H -1.944162 -2.272494 3.551881
H 2.541976 -3.073167 1.373241
H 1.023238 -2.451594 0.637659
H -1.025530 -2.451172 0.637547
H -2.545003 -3.071008 1.373061
H 2.960901 3.464466 0.068232
H 2.215367 2.534818 -1.287152
H -2.957896 3.466754 0.066987
H -2.212728 2.536168 -1.287951
H 2.186779 1.978355 2.476755
H -2.185842 1.980027 2.475984
H 0.000164 1.783045 3.766055
H 2.789923 -3.020032 -0.883178
H -2.792288 -3.017997 -0.883538
H 4.380244 1.488285 -2.384565
H -4.378658 1.491483 -2.385620
H 3.728838 -2.743117 -3.168752
H -3.730738 -2.740559 -3.169241
H 4.530554 -0.487023 -3.949027
H -4.530467 -0.483883 -3.949869


