%chk=000257057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257057

0 1
O -2.399297 -1.056651 0.006500
O 2.422188 -0.982436 -0.004747
O -0.583920 -1.031235 1.410225
O 0.606899 -1.013170 -1.408487
N -1.686696 0.937023 0.780685
N 1.648484 0.988220 -0.779208
C -0.046286 2.728807 0.000557
C -0.591341 1.854916 1.167020
C 0.525382 1.871865 -1.165728
C 1.052201 3.636677 0.579916
C -1.172165 3.602382 -0.578984
C -1.439355 -0.439077 0.778653
C 1.443658 -0.394845 -0.776978
C -2.162127 -2.490216 -0.254940
C 2.229146 -2.422533 0.257120
C -3.461558 -2.960629 -0.868985
C 3.542476 -2.852695 0.871113
H -0.987917 2.518353 1.971633
H 0.236907 1.267196 1.632328
H -0.284389 1.258825 -1.630892
H 0.901333 2.547002 -1.970505
H 1.842145 3.069073 1.083656
H 1.531026 4.235917 -0.203586
H 0.646240 4.341724 1.315152
H -0.788063 4.319388 -1.314397
H -1.669141 4.186833 0.204387
H -1.944327 3.010666 -1.082548
H -2.382764 1.301172 0.130538
H 2.332983 1.373738 -0.129099
H -1.297658 -2.532215 -0.946608
H -1.918272 -2.982536 0.701962
H 1.366459 -2.490824 0.948924
H 2.000382 -2.922372 -0.699610
H -4.302498 -2.842143 -0.172484
H -3.710355 -2.379092 -1.767986
H -3.403154 -4.016906 -1.156903
H 4.379291 -2.708687 0.174452
H 3.773449 -2.263532 1.769904
H 3.516531 -3.910180 1.159351


%chk=000257057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257057

0 1
O -2.517244 -1.084207 0.085637
O 2.542410 -1.003135 -0.087813
O -0.585264 -0.938720 1.434121
O 0.607550 -0.914124 -1.437146
N -1.667420 0.964006 0.567538
N 1.635183 1.019468 -0.572264
C -0.046327 2.841167 0.000385
C -0.718361 1.948555 1.090637
C 0.656529 1.975948 -1.092698
C 0.980202 3.756402 0.718663
C -1.104921 3.721451 -0.715344
C -1.498060 -0.392037 0.758899
C 1.504302 -0.341090 -0.762389
C -2.313879 -2.556905 -0.012528
C 2.380746 -2.480872 0.012670
C -3.529399 -3.117687 -0.744588
C 3.607037 -3.004560 0.754188
H -1.218986 2.616464 1.822268
H 0.052683 1.374137 1.633065
H -0.094709 1.379703 -1.639413
H 1.137442 2.663028 -1.819750
H 1.745904 3.168765 1.260836
H 1.496776 4.413927 -0.005300
H 0.478515 4.404026 1.461965
H -0.625719 4.395780 -1.449521
H -1.651896 4.350325 0.011674
H -1.842807 3.108266 -1.267636
H -2.467124 1.257490 0.006422
H 2.427062 1.335448 -0.012261
H -1.372320 -2.728945 -0.565110
H -2.209989 -2.969645 1.007378
H 1.440854 -2.678377 0.559504
H 2.295648 -2.898809 -1.006868
H -4.458868 -2.905265 -0.188269
H -3.616689 -2.678545 -1.753161
H -3.429581 -4.213638 -0.850272
H 4.533775 -2.766654 0.203639
H 3.674624 -2.560664 1.762192
H 3.538220 -4.102676 0.862051


