%chk=000228205.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000228205

0 1
O -0.668208 -0.691531 1.222573
O 2.447751 0.892860 0.267763
O 3.758718 -0.939957 0.717241
N 4.301354 0.594388 -0.970950
C -1.786575 -0.076920 0.513947
C -2.860932 -0.073353 1.624811
C -2.170071 -0.987468 -0.673070
C -4.246721 0.248656 1.059185
C -3.566003 -0.649467 -1.206289
C -4.618423 -0.697659 -0.090301
C -1.452362 1.272649 0.071368
C 0.619284 -0.692444 0.587152
C 1.452980 0.423926 1.224651
C -1.194422 2.390355 -0.295706
C 3.557249 0.075042 0.084065
C 5.691316 0.124954 -1.155186
H -2.580094 0.648065 2.414771
H -2.857215 -1.068854 2.114599
H -2.133186 -2.039896 -0.326501
H -1.421326 -0.905976 -1.481714
H -4.270578 1.298109 0.704041
H -5.001259 0.180491 1.865551
H -3.837361 -1.355388 -2.013655
H -3.555236 0.357531 -1.668673
H -4.714356 -1.732508 0.291325
H -5.611028 -0.427103 -0.495751
H 1.021680 -1.697038 0.826254
H 0.550663 -0.572019 -0.506462
H 1.958813 0.102313 2.150667
H 0.862847 1.343000 1.401116
H -0.967176 3.347607 -0.610721
H 4.080269 1.524453 -1.320572
H 5.813589 -0.897142 -0.743653
H 6.425786 0.780514 -0.658939
H 5.916433 0.082309 -2.234937


%chk=000228205-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000228205

0 1
O -0.602725 0.244129 1.175286
O 2.992370 0.948376 0.622037
O 3.401076 -1.312925 0.053421
N 4.864555 0.431213 -0.548704
C -1.921830 0.278604 0.477727
C -2.945097 0.134579 1.635744
C -2.063554 -0.916552 -0.509867
C -4.394477 -0.012233 1.120060
C -3.514208 -1.064339 -1.030538
C -4.523572 -1.197747 0.134836
C -2.093015 1.575534 -0.224646
C 0.584100 0.453723 0.330783
C 1.751504 0.538544 1.321678
C -2.210964 2.662415 -0.795920
C 3.736186 -0.100225 0.032022
C 5.849839 -0.401331 -1.241481
H -2.847450 1.003676 2.310149
H -2.650646 -0.766227 2.208399
H -1.765182 -1.828208 0.044564
H -1.368306 -0.796925 -1.361125
H -4.704915 0.924474 0.615724
H -5.074679 -0.152660 1.981657
H -3.573345 -1.946523 -1.696442
H -3.774537 -0.179697 -1.645431
H -4.332182 -2.146841 0.677164
H -5.555559 -1.255216 -0.261240
H 0.735564 -0.390840 -0.369114
H 0.495811 1.399927 -0.239960
H 1.908325 -0.432009 1.822043
H 1.570115 1.331271 2.063434
H -2.321665 3.609562 -1.291366
H 5.000880 1.438758 -0.466232
H 5.490863 -1.442438 -1.214340
H 6.837191 -0.355887 -0.745063
H 5.965730 -0.093464 -2.297258


