%chk=000240656.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240656

0 1
O -2.324999 -1.625633 0.276659
O -3.665422 0.942187 -0.763943
O -1.007849 -1.033904 -1.475215
O -3.101289 2.309825 0.954607
O 4.486439 -1.801932 -0.989001
O 3.025717 -0.868068 -2.283703
N 3.474981 -1.147335 -1.187576
C 0.813478 0.416429 0.980643
C -0.497890 1.073847 0.871461
C -1.576341 0.579744 0.240864
C 1.482801 -0.066955 -0.153039
C 1.412138 0.305006 2.249671
C 2.746574 -0.650516 0.005972
C 2.665060 -0.297180 2.390196
C 3.344101 -0.778015 1.268892
C -1.581663 -0.739759 -0.453786
C -2.831082 1.383274 0.224294
C -2.474499 -2.989249 -0.246293
C -4.942285 1.644225 -0.948846
C -1.201241 -3.774410 -0.020445
C -4.707043 2.947402 -1.679354
H -0.566540 2.054746 1.375489
H 1.026933 0.000105 -1.155666
H 0.890359 0.683076 3.132246
H 3.117222 -0.389968 3.379131
H 4.329162 -1.249668 1.362028
H -2.754491 -2.923575 -1.312670
H -3.324609 -3.343395 0.365878
H -5.411234 1.783188 0.041196
H -5.492571 0.895790 -1.549206
H -0.385870 -3.405643 -0.661997
H -1.340556 -4.837869 -0.251071
H -0.857825 -3.701124 1.019242
H -4.098979 2.800270 -2.582549
H -4.175360 3.672850 -1.045157
H -5.652028 3.411333 -1.987252


%chk=000240656-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240656

0 1
O -2.118639 -1.643030 -0.068019
O -3.797834 0.954587 -0.497441
O -1.221608 -0.520046 -1.911973
O -2.949359 2.481415 1.058545
O 4.389976 -2.566771 -0.229208
O 2.361398 -2.691072 -1.259831
N 3.173681 -2.172689 -0.400633
C 0.878745 0.478512 1.049379
C -0.466547 1.058637 0.936030
C -1.556506 0.650821 0.213767
C 1.375642 -0.573013 0.229910
C 1.743260 1.017610 2.049423
C 2.676314 -1.057884 0.452038
C 3.047141 0.518261 2.246901
C 3.533012 -0.535207 1.446051
C -1.601985 -0.532883 -0.717591
C -2.803129 1.470555 0.327130
C -2.273356 -2.899003 -0.881956
C -5.100447 1.691776 -0.524366
C -1.044736 -3.796054 -0.720095
C -5.045085 2.846368 -1.528004
H -0.643119 1.956586 1.547572
H 0.792037 -1.000669 -0.586844
H 1.375432 1.835358 2.680025
H 3.685237 0.949903 3.023983
H 4.537190 -0.948502 1.568855
H -2.435857 -2.611390 -1.935016
H -3.182981 -3.359622 -0.464662
H -5.318004 2.051192 0.496697
H -5.825337 0.917256 -0.820324
H -0.141335 -3.337646 -1.155997
H -1.222050 -4.755733 -1.240580
H -0.854837 -4.015507 0.344904
H -4.758646 2.483059 -2.529662
H -4.322748 3.614108 -1.204662
H -6.041623 3.319816 -1.602644


