%chk=000229899.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229899

0 1
O 3.096500 2.631016 -1.919297
O -3.096280 2.633326 1.916037
O 4.056627 -2.683998 1.766821
O -4.056783 -2.685971 -1.763115
N 1.880585 -0.303634 -0.073973
N -1.880260 -0.303584 0.074409
C 0.482126 -0.393366 -0.603536
C -0.481799 -0.392639 0.604082
C 2.782932 0.414385 -1.026356
C -2.782633 0.415559 1.025920
C 2.425492 -1.646050 0.296001
C -2.425134 -1.646449 -0.293971
C 2.675393 1.932732 -0.735067
C -2.675266 1.933541 0.732657
C 3.411744 -1.440266 1.461197
C -3.411262 -1.442074 -1.459520
C 3.495499 2.364138 0.472036
C -3.495568 2.363321 -0.474892
H 0.310121 -1.278590 -1.248918
H 0.258847 0.494208 -1.239369
H -0.258542 0.495720 1.238824
H -0.309774 -1.277070 1.250543
H 2.536708 0.235584 -2.096016
H 3.831898 0.076214 -0.898097
H -2.536319 0.238169 2.095793
H -3.831570 0.077107 0.898167
H 2.936747 -2.172425 -0.538601
H 1.602751 -2.317568 0.619606
H -1.602371 -2.318383 -0.616645
H -2.936512 -2.171780 0.541217
H 1.611023 2.254553 -0.645767
H -1.610936 2.255337 0.642802
H 4.257933 -0.782976 1.186622
H 2.914131 -1.039433 2.360103
H -4.257117 -0.783896 -1.186033
H -2.913437 -1.042974 -2.359075
H 3.418758 3.446755 0.633260
H 3.128008 1.865626 1.380324
H 4.557457 2.120219 0.373481
H -3.128091 1.863753 -1.382603
H -3.419020 3.445751 -0.637459
H -4.557478 2.119358 -0.375924
H 4.064515 2.614880 -2.022124
H -4.064278 2.617186 2.019045
H 3.425784 -3.313771 2.163091
H -3.426246 -3.316741 -2.158281


%chk=000229899-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229899

0 1
O 3.507717 2.704030 -1.907586
O -3.507573 2.706251 1.904327
O 3.997214 -2.899329 1.592848
O -3.996957 -2.901482 -1.589086
N 1.899505 -0.280328 -0.201084
N -1.899292 -0.280135 0.201446
C 0.475000 -0.234025 -0.609640
C -0.474798 -0.233251 0.609974
C 2.806156 0.475221 -1.099632
C -2.806006 0.476495 1.099017
C 2.393197 -1.632230 0.152742
C -2.392911 -1.632519 -0.150646
C 2.820646 1.996753 -0.803319
C -2.820502 1.997669 0.800895
C 3.391266 -1.584131 1.329824
C -3.390883 -1.585982 -1.327874
C 3.434623 2.339033 0.561114
C -3.434485 2.338338 -0.563940
H 0.213264 -1.077437 -1.295071
H 0.292587 0.693530 -1.180585
H -0.292432 0.695046 1.179728
H -0.213051 -1.075765 1.296503
H 2.540706 0.341313 -2.174417
H 3.835649 0.085032 -0.971826
H -2.540629 0.343880 2.173984
H -3.835484 0.086131 0.971615
H 2.884080 -2.147089 -0.706649
H 1.527861 -2.259581 0.445669
H -1.527531 -2.260239 -0.442654
H -2.883868 -2.146247 0.709379
H 1.789633 2.389038 -0.860841
H -1.789495 2.390037 0.857949
H 4.247988 -0.933602 1.087442
H 2.887243 -1.173212 2.229101
H -4.247543 -0.935010 -1.086464
H -2.886757 -1.176390 -2.227696
H 3.385564 3.425260 0.749615
H 2.890875 1.808222 1.362285
H 4.497538 2.024990 0.605529
H -2.890706 1.806635 -1.364500
H -3.385472 3.424350 -0.753693
H -4.497385 2.024198 -0.608004
H 4.481966 2.535971 -1.829614
H -4.481820 2.538089 1.826565
H 3.297492 -3.520021 1.918323
H -3.297286 -3.522708 -1.913651


