%chk=000228580.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228580

0 1
O -5.252784 -1.084841 0.066460
C 0.157162 -0.398697 -0.389265
C -0.649880 0.802909 0.189288
C 1.622439 -0.394354 0.160992
C -2.065761 0.734484 -0.398842
C -2.790111 -0.576892 0.042278
C 2.269893 0.968957 -0.244357
C -0.559271 -1.743083 -0.131524
C -2.031075 -1.757841 -0.582543
C 0.033600 2.138726 -0.153321
C 1.487048 2.160550 0.333632
C -3.079162 1.846195 -0.071480
C -4.217091 -0.317593 -0.542110
C 2.440027 -1.521525 -0.527778
C -4.453873 1.206580 -0.368841
C 3.753237 1.033505 0.159261
C 1.634559 -0.604240 1.683989
C 4.549580 -0.095916 -0.524021
C 3.933422 -1.467155 -0.182657
C -2.878831 -0.749310 1.565281
C 6.024470 -0.047313 -0.107979
H 0.216491 -0.260201 -1.497096
H -0.696756 0.706638 1.300211
H -1.958739 0.711413 -1.515053
H 2.219514 1.040345 -1.360845
H -0.507306 -1.990835 0.947294
H -0.016908 -2.554293 -0.653405
H -2.090380 -1.714908 -1.685595
H -2.504660 -2.714910 -0.295075
H -0.527672 2.973671 0.305595
H -0.000273 2.316322 -1.244896
H 1.968011 3.109904 0.033194
H 1.520788 2.142447 1.438975
H -2.908627 2.746680 -0.680845
H -3.004505 2.163139 0.981522
H -4.299278 -0.637320 -1.602482
H 2.311717 -1.453922 -1.624469
H 2.036147 -2.509047 -0.236770
H -5.173184 1.397068 0.443486
H -4.906858 1.633647 -1.277360
H 4.178699 2.014202 -0.120061
H 3.855552 0.961337 1.257857
H 1.255927 -1.594942 1.954226
H 2.649637 -0.518444 2.087796
H 1.013516 0.139129 2.195877
H 4.491150 0.050853 -1.630938
H 4.078405 -1.687341 0.892091
H 4.469425 -2.265097 -0.728998
H -1.881625 -0.849867 2.012402
H -3.360101 0.107523 2.046607
H -3.440393 -1.654710 1.822793
H -5.300121 -0.925844 1.029191
H 6.604599 -0.832717 -0.603835
H 6.481057 0.912548 -0.371666
H 6.147655 -0.181918 0.971907


%chk=000228580-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000228580

0 1
O -5.317853 -1.178869 -0.287659
C 0.164831 -0.418463 -0.270714
C -0.657725 0.809483 0.253319
C 1.658897 -0.405783 0.240356
C -2.083219 0.735193 -0.331575
C -2.840562 -0.577085 0.033516
C 2.295089 0.962997 -0.205633
C -0.577877 -1.763916 -0.018966
C -2.041359 -1.767634 -0.541168
C 0.039382 2.142819 -0.111597
C 1.513968 2.176775 0.346262
C -3.101282 1.864380 -0.015706
C -4.210713 -0.287364 -0.657599
C 2.469657 -1.543768 -0.458036
C -4.489594 1.225299 -0.358189
C 3.811268 1.043883 0.091755
C 1.722467 -0.601411 1.781313
C 4.600215 -0.102916 -0.588606
C 3.993112 -1.473305 -0.197526
C -3.070065 -0.759208 1.557074
C 6.107115 -0.035301 -0.261971
H 0.223512 -0.290737 -1.378807
H -0.726989 0.756444 1.360684
H -1.962415 0.715622 -1.440880
H 2.189262 0.994771 -1.316187
H -0.578524 -1.998290 1.063238
H -0.028032 -2.587331 -0.512208
H -2.031868 -1.692021 -1.649400
H -2.531285 -2.728875 -0.290263
H -0.518864 2.991046 0.330986
H 0.000326 2.276296 -1.214633
H 1.995425 3.113075 -0.001635
H 1.566890 2.191923 1.453941
H -2.907912 2.776509 -0.606903
H -3.046206 2.152882 1.051647
H -4.109704 -0.458388 -1.745306
H 2.289018 -1.483407 -1.553080
H 2.094874 -2.532227 -0.128945
H -5.194494 1.313774 0.491964
H -4.974890 1.713759 -1.220691
H 4.197955 2.021618 -0.263264
H 3.994759 1.018994 1.186463
H 1.382208 -1.615211 2.060621
H 2.751039 -0.487582 2.163544
H 1.091508 0.124458 2.323033
H 4.474979 0.015821 -1.688179
H 4.204617 -1.667798 0.874271
H 4.501205 -2.279938 -0.763667
H -2.121215 -0.814597 2.115196
H -3.656353 0.069733 1.996829
H -3.614371 -1.704057 1.743141
H -5.579119 -0.982535 0.647910
H 6.666577 -0.841915 -0.772633
H 6.544465 0.931809 -0.574209
H 6.276372 -0.145733 0.826871


