%chk=000257005.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000257005

0 1
O -1.341500 0.563945 -0.140613
O -0.613572 -2.976246 -0.331044
O -3.243203 -2.813875 1.059813
O -4.750010 -0.762631 -0.438051
O -4.511822 2.033855 -0.315850
N 0.713382 -0.299915 0.221728
N 2.280728 0.305711 1.795355
N -2.423949 2.955545 -0.320929
N 2.123143 0.001404 -1.836784
N 4.411024 0.699782 -1.311155
N 5.170912 1.087504 0.894720
C -1.248935 -1.863638 0.306385
C -2.768626 -1.939019 0.026985
C -0.569062 -0.648609 -0.381310
C -3.467860 -0.570472 0.157185
C -2.689508 0.504989 -0.634486
C -3.297182 1.895685 -0.392766
C 1.884514 0.018604 -0.488107
C 1.019035 -0.080611 1.615125
C 2.854217 0.377066 0.511387
C 4.159498 0.722850 0.048678
C 3.399965 0.348357 -2.164056
H -1.065924 -1.905670 1.405109
H -2.982013 -2.402997 -0.965497
H -0.454075 -0.813858 -1.487790
H -3.594010 -0.281518 1.225884
H -2.689796 0.286179 -1.729381
H -0.912871 -3.817061 0.094229
H -4.221094 -2.929966 0.970795
H 0.271743 -0.227101 2.383461
H -5.264636 0.100720 -0.411564
H -2.767239 3.886895 -0.135114
H -1.420720 2.818748 -0.304259
H 3.654405 0.348878 -3.238938
H 6.089377 1.302169 0.538148
H 5.025365 1.085502 1.892908


%chk=000257005-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000257005

0 1
O -1.334059 0.672888 -0.001776
O -0.490000 -2.927623 0.475807
O -3.314020 -2.958648 0.751431
O -4.733207 -0.837607 -0.659353
O -4.650480 1.931182 -0.731680
N 0.785181 -0.305706 0.385113
N 2.538751 0.037626 1.825050
N -2.599668 2.964754 -0.295460
N 1.920007 0.209404 -1.766250
N 4.284354 0.808869 -1.440226
N 5.313491 0.878593 0.686299
C -1.278500 -1.710567 0.611555
C -2.674161 -1.884345 -0.009579
C -0.532951 -0.581872 -0.130948
C -3.481739 -0.582581 0.044656
C -2.654340 0.535937 -0.644208
C -3.386198 1.881948 -0.559317
C 1.878756 0.072075 -0.412438
C 1.246207 -0.305416 1.716686
C 2.947987 0.275645 0.495419
C 4.197940 0.657968 -0.074477
C 3.165979 0.580789 -2.194338
H -1.413854 -1.438567 1.681094
H -2.571951 -2.184067 -1.076340
H -0.420251 -0.831058 -1.205914
H -3.668638 -0.294589 1.101719
H -2.535310 0.270307 -1.718902
H -1.072460 -3.683420 0.752151
H -4.246071 -3.047860 0.424974
H 0.605589 -0.571038 2.553057
H -5.184590 0.053891 -0.759770
H -3.018941 3.891871 -0.230471
H -1.603098 2.820601 -0.119787
H 3.286935 0.710346 -3.273795
H 6.181596 1.140705 0.223907
H 5.271415 0.760763 1.696314


