%chk=000261242.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000261242

0 1
O 0.077395 1.028483 0.557994
O -2.105916 -2.439915 -0.022750
O -2.189129 0.004963 -1.028092
O 0.717117 -2.611628 0.639255
O -3.078331 2.709188 0.752127
O 2.978836 -0.744531 2.438902
O -2.340703 -3.731293 1.822121
O -4.445565 -0.205768 -0.972791
O 5.915816 0.614024 -0.909470
O -3.776712 2.985028 -1.384053
N 2.122055 0.015211 0.444245
N 4.531861 -0.085105 0.827313
C -1.426772 -1.427290 0.758839
C -2.130829 -0.101136 0.418240
C 0.047839 -1.415184 0.297850
C -1.317756 1.106242 0.934747
C 0.752067 -0.188891 0.952731
C -1.725955 2.443177 0.295148
C 2.322488 0.527309 -0.831591
C 3.266798 -0.312295 1.347636
C -2.501585 -3.601444 0.633470
C -3.444751 -0.034096 -1.627145
C 3.596164 0.730155 -1.296436
C 4.683614 0.402241 -0.418339
C -3.108879 -4.516458 -0.364287
C -3.278829 0.216295 -3.078460
C -4.054256 2.934610 -0.208944
C -5.364663 3.076553 0.470212
C 7.076793 0.288095 -0.037048
C 8.253096 0.644643 -0.915830
H -1.521423 -1.671490 1.846095
H -3.173763 -0.084118 0.828279
H 0.104046 -1.402650 -0.818556
H -1.379832 1.152632 2.047561
H 0.776998 -0.260975 2.072500
H -1.115671 3.281228 0.677340
H -1.675625 2.405195 -0.812517
H 0.784490 -2.737219 1.615940
H 1.431304 0.767301 -1.431745
H 3.803035 1.125892 -2.286136
H -3.193808 -4.057409 -1.363522
H -2.502107 -5.431803 -0.470813
H -4.118220 -4.827828 -0.048497
H -2.270400 -0.031336 -3.444095
H -4.014632 -0.348015 -3.670865
H -3.443801 1.294753 -3.284729
H -5.968251 2.160282 0.324428
H -5.942505 3.915515 0.050868
H -5.269084 3.232924 1.557034
H 7.013098 -0.783970 0.217554
H 6.992476 0.903799 0.874909
H 9.202202 0.454074 -0.398576
H 8.235420 1.704380 -1.207108
H 8.254748 0.061156 -1.847441


%chk=000261242-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000261242

0 1
O 0.135869 1.076263 0.622830
O -1.976551 -2.541449 0.081402
O -2.007741 0.069451 -1.053155
O 0.730682 -2.626792 1.081373
O -3.258122 2.488416 0.901458
O 3.081278 -1.522581 1.862578
O -3.478546 -2.756835 1.856387
O -4.271325 -0.505045 -1.170055
O 6.005134 0.803617 -0.976155
O -3.725389 2.975116 -1.339726
N 2.211330 0.044120 0.358012
N 4.592261 -0.321809 0.523099
C -1.331727 -1.422979 0.799873
C -2.032616 -0.109292 0.421321
C 0.164594 -1.450847 0.444428
C -1.278747 1.071796 1.046433
C 0.861984 -0.147300 0.961760
C -1.805840 2.446925 0.608822
C 2.387402 0.853383 -0.749703
C 3.327758 -0.649051 0.967268
C -3.080432 -3.129941 0.732005
C -3.216156 -0.152484 -1.742725
C 3.653851 1.089234 -1.250948
C 4.746064 0.494202 -0.530707
C -3.683725 -4.205810 -0.135499
C -3.047011 0.155208 -3.208212
C -4.130932 2.725866 -0.183366
C -5.566070 2.587496 0.257160
C 7.165005 0.199162 -0.239407
C 8.421295 0.663091 -0.966319
H -1.451091 -1.583869 1.889276
H -3.080983 -0.131109 0.767164
H 0.280350 -1.497039 -0.657916
H -1.334486 0.966752 2.151815
H 1.007805 -0.238117 2.060136
H -1.331627 3.248183 1.196853
H -1.633659 2.603029 -0.469086
H 1.635691 -2.405454 1.475030
H 1.482067 1.299039 -1.163610
H 3.824488 1.722306 -2.120679
H -4.320550 -3.728046 -0.902759
H -2.897371 -4.778033 -0.652355
H -4.307500 -4.872504 0.477671
H -2.041482 -0.122059 -3.560470
H -3.820076 -0.365630 -3.792298
H -3.174951 1.245330 -3.344010
H -5.881775 1.542912 0.074573
H -6.207785 3.249651 -0.343873
H -5.679019 2.802672 1.330024
H 7.040167 -0.897718 -0.244385
H 7.121567 0.542794 0.809066
H 9.312790 0.246685 -0.463193
H 8.501332 1.763503 -0.959083
H 8.422525 0.319095 -2.014621


