%chk=000258672.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258672

0 1
O 2.398071 2.022841 -0.590208
O -7.247026 0.070369 -0.307345
O 4.800042 -2.205619 -0.325818
N -1.781229 -0.043086 0.933823
N 0.816070 0.336649 -0.534606
N 3.163656 -0.144349 -0.268675
C -1.110269 1.285543 0.768913
C -1.070743 -1.134709 0.184160
C -0.243613 1.391153 -0.496301
C 0.451532 -0.917228 0.195843
C -3.196107 -0.009238 0.576157
C 2.157179 0.832204 -0.445557
C -3.679273 0.418020 -0.678685
C -4.091139 -0.424167 1.571894
C -5.042879 0.431338 -0.933688
C -5.468925 -0.419694 1.331151
C -5.931042 0.008599 0.080891
C 4.563846 0.132854 -0.329562
C 5.458028 -0.984917 -0.342213
C 5.109606 1.418575 -0.341645
C 6.837091 -0.809175 -0.361289
C 6.501378 1.593187 -0.362388
C -8.273359 -0.328471 0.658347
C 7.356302 0.495495 -0.371208
C -9.564325 -0.120869 -0.108513
C 5.608262 -3.401949 -0.418911
H -0.477100 1.416729 1.678240
H -1.854577 2.109233 0.792584
H -1.427785 -1.242814 -0.864208
H -1.314901 -2.085730 0.709948
H -0.857082 1.257744 -1.415643
H 0.219356 2.406103 -0.567570
H 0.945782 -1.771491 -0.320796
H 0.818619 -0.895120 1.248237
H -2.980124 0.741228 -1.449927
H -3.707442 -0.749160 2.540761
H 2.919694 -1.140185 -0.304001
H -5.444540 0.757742 -1.890451
H -6.149488 -0.742915 2.110863
H 4.448515 2.295004 -0.341940
H 7.514812 -1.656766 -0.368384
H 6.906404 2.604044 -0.372525
H -8.191119 0.324488 1.543964
H -8.102179 -1.383474 0.932101
H 8.435136 0.639279 -0.386595
H -9.586151 -0.729046 -1.023972
H -9.674099 0.925334 -0.427819
H -10.437478 -0.385676 0.497967
H 4.844802 -4.190158 -0.413260
H 6.172726 -3.407585 -1.356160
H 6.263786 -3.483362 0.453319


%chk=000258672-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000258672

0 1
O 2.819915 2.301768 -1.183761
O -7.230376 0.036459 1.043525
O 4.222078 -2.111081 0.514776
N -1.792352 0.497883 -0.550544
N 1.033763 0.795434 -1.057057
N 3.191139 0.101433 -0.418484
C -1.155552 1.833261 -0.538993
C -1.013895 -0.614249 -1.109183
C 0.078915 1.847164 -1.456563
C 0.471950 -0.524814 -0.701335
C -3.145238 0.347062 -0.185648
C 2.384163 1.139431 -0.902269
C -3.817670 1.375709 0.548389
C -3.897923 -0.815926 -0.519944
C -5.162378 1.237674 0.929417
C -5.247617 -0.959731 -0.126204
C -5.890373 0.068560 0.602402
C 4.588179 0.137203 -0.193362
C 5.162102 -1.070168 0.317173
C 5.432428 1.247576 -0.430460
C 6.540407 -1.166732 0.582614
C 6.818108 1.147108 -0.163776
C -8.018096 -1.164688 0.723768
C 7.374356 -0.047417 0.338970
C -9.409203 -0.953773 1.317160
C 4.715498 -3.377491 1.053774
H -0.853674 2.129272 0.488992
H -1.875421 2.592755 -0.905756
H -1.091175 -0.669603 -2.218744
H -1.403973 -1.567128 -0.709052
H -0.232978 1.710273 -2.511566
H 0.607593 2.811903 -1.387550
H 1.016874 -1.338000 -1.225391
H 0.552326 -0.703267 0.392870
H -3.281258 2.281720 0.845425
H -3.449818 -1.615358 -1.118355
H 2.770742 -0.798937 -0.175246
H -5.666230 2.027742 1.495365
H -5.782148 -1.871446 -0.410510
H 4.987224 2.166595 -0.815461
H 6.972027 -2.093279 0.972983
H 7.460437 2.013990 -0.351970
H -7.527085 -2.060058 1.160732
H -8.068491 -1.295980 -0.377974
H 8.447708 -0.118150 0.544249
H -9.883986 -0.057246 0.883144
H -9.348118 -0.817801 2.410474
H -10.051223 -1.828584 1.106631
H 3.831364 -4.027505 1.132738
H 5.458174 -3.837442 0.373809
H 5.165481 -3.235320 2.055079


