%chk=000253014.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000253014

0 1
O -1.197536 -1.071274 -0.227437
O -0.925742 2.087339 -1.500513
O -1.783947 2.237079 1.157725
O 0.190512 -1.935330 -1.747180
O -4.054917 -0.928114 1.027300
O 3.333092 0.658279 -1.499964
O -0.715596 4.215648 -0.737697
O -0.237871 2.813941 2.705469
O -1.501143 -2.596222 -3.109868
O -3.696668 -3.146065 1.340241
N 1.642998 -0.181917 -0.216102
C -0.084256 1.557876 -0.434587
C 0.606037 0.345500 -1.118167
C -0.972368 1.111509 0.746827
C -1.978490 0.019543 0.322017
C -0.482780 -0.711296 -1.432300
C -2.719995 -0.608688 1.503124
C 3.002911 -0.015640 -0.540964
C -1.183986 3.448350 -1.542088
C -1.234799 3.113378 2.098907
C -0.475923 -2.874061 -2.545883
C 3.949581 -0.687583 0.401967
C -2.072788 3.713639 -2.703544
C -2.078042 4.330124 2.147695
C -4.409149 -2.265826 0.927212
C 0.328636 -4.120164 -2.549077
C 4.949424 -1.513754 -0.129496
C 3.868169 -0.468663 1.783304
C -5.749627 -2.345369 0.287960
C 5.858143 -2.137887 0.729222
C 4.783805 -1.092276 2.635653
C 5.774513 -1.928600 2.110078
H 0.646314 2.339247 -0.119022
H 1.080199 0.695983 -2.083982
H -0.328723 0.781639 1.598969
H -2.689511 0.400359 -0.448401
H -1.194175 -0.406581 -2.227989
H -2.896086 0.113494 2.321320
H -2.209553 -1.522549 1.875493
H 1.336079 -0.912192 0.429004
H -2.254155 2.814148 -3.315203
H -1.636798 4.484034 -3.360985
H -3.053493 4.088128 -2.367821
H -3.147881 4.113853 2.006696
H -1.948495 4.873713 3.095551
H -1.780572 5.013146 1.323326
H -0.131149 -4.875644 -1.887017
H 1.357890 -3.960521 -2.185588
H 0.382513 -4.556877 -3.558881
H 5.020382 -1.657099 -1.208904
H 3.103973 0.193886 2.192462
H -6.414653 -3.018941 0.850545
H -6.240596 -1.362001 0.211289
H -5.663559 -2.750315 -0.734676
H 6.635794 -2.782106 0.321338
H 4.726466 -0.922705 3.710220
H 6.485893 -2.414375 2.777524


%chk=000253014-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000253014

0 1
O -1.357537 -1.000537 -0.161743
O -0.903230 2.137765 -1.693915
O -1.672828 2.516303 1.031284
O -0.169935 -2.011046 -1.896147
O -3.996672 -1.054341 1.024837
O 3.200535 0.862860 -1.143119
O -0.325687 4.303771 -1.022639
O 0.113871 3.011052 2.453531
O -2.314425 -2.590624 -2.648664
O -2.972100 -2.968650 1.905007
N 1.455462 -0.381253 -0.271241
C -0.080758 1.546868 -0.600406
C 0.492842 0.225219 -1.192928
C -0.977820 1.272455 0.630994
C -2.057453 0.218304 0.314622
C -0.682241 -0.731042 -1.440462
C -2.891145 -0.204058 1.520785
C 2.796477 -0.025613 -0.325095
C -0.939349 3.543125 -1.797986
C -0.959954 3.359193 1.924007
C -1.125130 -2.906144 -2.456492
C 3.730746 -0.737546 0.615803
C -1.818178 3.949377 -2.958139
C -1.673468 4.675875 2.081263
C -3.846090 -2.450186 1.180367
C -0.467357 -4.232482 -2.742717
C 5.121675 -0.595915 0.376372
C 3.292906 -1.513742 1.721433
C -4.872411 -3.168735 0.337575
C 6.059525 -1.233850 1.213439
C 4.232781 -2.149607 2.561288
C 5.617602 -2.016050 2.306809
H 0.736583 2.241119 -0.342616
H 1.010817 0.476138 -2.135961
H -0.324312 0.934100 1.457812
H -2.727557 0.593666 -0.485721
H -1.406870 -0.312580 -2.165047
H -3.359053 0.674603 1.990528
H -2.284944 -0.771210 2.250076
H 1.134991 -1.176773 0.283763
H -1.552873 3.379349 -3.863799
H -1.710036 5.027370 -3.144511
H -2.873611 3.723861 -2.722182
H -2.766666 4.545182 2.050799
H -1.365346 5.161233 3.019044
H -1.381754 5.320984 1.231731
H -0.322862 -4.778437 -1.792657
H 0.527642 -4.084446 -3.192553
H -1.106265 -4.832167 -3.406848
H 5.436422 0.024741 -0.468883
H 2.227424 -1.608442 1.963333
H -4.993185 -4.203339 0.690862
H -5.837755 -2.638234 0.355279
H -4.515859 -3.183397 -0.709643
H 7.131373 -1.120727 1.017949
H 3.886223 -2.740027 3.416302
H 6.345123 -2.510112 2.960321


