%chk=000257634.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257634

0 1
O -0.448722 2.554671 0.238724
O -6.440381 0.329658 -0.712868
O 5.410018 1.772974 -0.687905
O 6.268832 -0.283980 -0.481446
C -0.247447 -1.112940 0.161159
C 1.172447 -1.185880 -0.439440
C -0.930234 0.231099 -0.178030
C 2.042958 0.094592 -0.148535
C -2.384511 0.333141 0.388841
C -1.106166 -2.272291 -0.373825
C 1.313805 1.070497 0.792152
C 1.979667 -2.384750 0.133821
C -0.070017 1.404915 0.285302
C -3.185499 -0.936273 0.092552
C 3.293424 -0.461659 0.538345
C -2.490813 -2.256640 0.274566
C -3.073442 1.547617 -0.290478
C 2.423756 0.799976 -1.453623
C 3.250258 -1.794762 0.676665
C -2.356611 0.514003 1.916603
C -4.568812 1.626688 -0.002724
C -4.485259 -0.903255 -0.242181
C 4.408031 0.430613 0.969875
C -5.277534 0.339070 -0.365867
C 5.454279 0.522052 -0.106949
H -0.175435 -1.203312 1.273498
H 1.084774 -1.310645 -1.542842
H -0.999055 0.312045 -1.295673
H -0.612288 -3.243016 -0.177558
H -1.205668 -2.205004 -1.475310
H 1.899791 2.006495 0.909310
H 1.236953 0.642354 1.812383
H 2.192974 -3.131843 -0.652655
H 1.428339 -2.923372 0.926257
H -2.410836 -2.466435 1.363835
H -3.101647 -3.088583 -0.135323
H -2.913189 1.501235 -1.385899
H -2.577808 2.489784 0.036047
H 3.101154 1.648093 -1.272018
H 2.944426 0.123284 -2.141440
H 1.547835 1.197034 -1.976998
H 4.005974 -2.433020 1.107832
H -1.760487 -0.259567 2.410363
H -1.939195 1.490638 2.193847
H -3.367059 0.471502 2.341631
H -5.025305 2.475180 -0.553884
H -4.758493 1.848346 1.067976
H -5.057144 -1.810750 -0.445799
H 4.886626 0.044486 1.899761
H 4.027978 1.448442 1.223327
H 6.089457 1.892195 -1.403903


%chk=000257634-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000257634

0 1
O -0.415509 2.608638 0.346333
O -6.518832 0.245977 -0.957985
O 6.237256 1.829603 -0.105618
O 5.591802 0.043415 -1.440863
C -0.254775 -1.133225 0.237076
C 1.168986 -1.222466 -0.383869
C -0.941014 0.228005 -0.085633
C 2.057840 0.069443 -0.145801
C -2.444565 0.363367 0.414835
C -1.128834 -2.310274 -0.246810
C 1.349245 1.028961 0.865084
C 1.989416 -2.438428 0.170819
C -0.046235 1.403262 0.380005
C -3.221606 -0.934076 0.112489
C 3.357023 -0.489882 0.452715
C -2.532974 -2.254527 0.393483
C -3.123386 1.554754 -0.334653
C 2.319389 0.833492 -1.473134
C 3.304246 -1.835359 0.618717
C -2.477310 0.594283 1.961320
C -4.652171 1.614014 -0.143711
C -4.515890 -0.922149 -0.342723
C 4.538378 0.388328 0.797532
C -5.323338 0.300986 -0.533716
C 5.462566 0.689268 -0.381619
H -0.154370 -1.225289 1.341031
H 1.041513 -1.343605 -1.478474
H -0.985168 0.309915 -1.197056
H -0.643728 -3.272890 0.002413
H -1.221511 -2.271008 -1.351655
H 1.919526 1.962010 1.018373
H 1.258413 0.518306 1.845746
H 2.143033 -3.223164 -0.595064
H 1.468187 -2.934041 1.016754
H -2.420443 -2.382948 1.491673
H -3.161690 -3.091170 0.039360
H -2.909020 1.448269 -1.417970
H -2.655018 2.498181 -0.013574
H 2.928885 1.741606 -1.304950
H 2.857962 0.192408 -2.192020
H 1.370230 1.161477 -1.936846
H 4.120169 -2.441660 1.029199
H -1.941062 -0.203966 2.506267
H -2.012402 1.562905 2.215424
H -3.516151 0.606508 2.333920
H -5.098510 2.431426 -0.737224
H -4.907203 1.824060 0.915542
H -5.036996 -1.866656 -0.548760
H 5.172651 -0.105013 1.560236
H 4.231371 1.355111 1.236235
H 6.866321 1.988519 -0.861359


