%chk=000215347.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000215347

0 1
O 0.354648 -1.474226 1.751648
O -0.809404 1.667599 0.799640
O -2.340680 -2.899713 -0.165763
O -5.138223 1.010614 -0.515921
N 3.567050 0.233495 -0.105583
C 4.363517 0.444065 1.150141
C 4.433923 0.385890 -1.321267
C 4.971550 1.856486 1.152997
C 5.043102 1.797590 -1.356313
C 5.850179 2.082027 -0.083658
C 2.901474 -1.111441 -0.083136
C 1.701344 -1.090141 -1.049845
C 0.562832 -1.994441 -0.568252
C -0.124539 -1.383040 0.639132
C -1.425049 -0.715147 0.378105
C -1.671124 0.672404 0.464290
C -2.518644 -1.525045 -0.000711
C -2.936707 1.216238 0.155013
C -3.781410 -1.034643 -0.311459
C -3.967857 0.360057 -0.236261
C 0.569835 1.390553 1.150589
C -2.248112 -3.653125 1.071649
C -6.276023 0.217788 -0.942734
H 5.166232 -0.312873 1.280745
H 3.670589 0.336084 2.013328
H 3.794386 0.236561 -2.217354
H 5.241903 -0.375589 -1.368575
H 4.156983 2.607670 1.171602
H 5.557467 2.006655 2.077665
H 5.680464 1.905784 -2.252127
H 4.230964 2.545376 -1.456321
H 6.230577 3.119942 -0.097115
H 6.741358 1.427879 -0.042785
H 2.536827 -1.310254 0.954524
H 3.584421 -1.948224 -0.333789
H 1.328992 -0.044352 -1.159362
H 2.017546 -1.401626 -2.062488
H 0.948411 -2.999513 -0.302651
H -0.166784 -2.165270 -1.387297
H -3.096684 2.290771 0.222411
H -4.568554 -1.719123 -0.601587
H 1.106416 0.979222 0.282284
H 0.941420 2.395153 1.387963
H 0.621105 0.731926 2.025202
H -3.210774 -3.612702 1.590388
H -1.439580 -3.275226 1.706923
H -2.032684 -4.665420 0.709981
H -6.574827 -0.472257 -0.148565
H -6.045109 -0.305404 -1.875240
H -7.038246 0.992069 -1.101764


%chk=000215347-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000215347

0 1
O 0.265122 -1.515420 2.227002
O -0.846201 1.448851 1.676436
O -2.173097 -2.827783 -0.578199
O -4.991350 1.167546 -0.482824
N 3.539310 0.279840 -0.050634
C 4.492536 0.689113 1.015614
C 4.182763 0.327720 -1.389838
C 5.017347 2.118815 0.775578
C 4.704562 1.744064 -1.708422
C 5.682969 2.229508 -0.614970
C 2.923586 -1.039075 0.245713
C 1.740517 -1.371722 -0.694009
C 0.692272 -2.318914 -0.028317
C -0.121849 -1.554252 1.016270
C -1.343252 -0.794608 0.569611
C -1.645567 0.561733 0.956850
C -2.354311 -1.468666 -0.189967
C -2.871663 1.163245 0.586130
C -3.573239 -0.878431 -0.562953
C -3.826670 0.459202 -0.168010
C 0.612095 1.327212 1.822901
C -2.573296 -3.806360 0.453765
C -5.999763 0.486899 -1.301100
H 5.364722 -0.016452 1.069345
H 3.967532 0.631766 1.988182
H 3.441925 0.022632 -2.150263
H 5.036781 -0.400996 -1.445401
H 4.166907 2.825909 0.835205
H 5.734164 2.386934 1.575504
H 5.196970 1.739380 -2.700107
H 3.841598 2.435661 -1.765996
H 6.001493 3.270599 -0.812270
H 6.598104 1.601479 -0.635181
H 2.558483 -1.008458 1.289051
H 3.676520 -1.868998 0.196909
H 1.245427 -0.429532 -1.000415
H 2.098376 -1.859225 -1.620190
H 1.217961 -3.151751 0.475870
H 0.025032 -2.728137 -0.802616
H -3.055897 2.200557 0.873779
H -4.285514 -1.477372 -1.135093
H 1.105901 1.074021 0.866496
H 0.931600 2.331383 2.142566
H 0.861776 0.575150 2.588814
H -3.646889 -3.693044 0.700077
H -1.971097 -3.684785 1.374615
H -2.390512 -4.797657 0.011659
H -6.402963 -0.404507 -0.782773
H -5.586100 0.190841 -2.284269
H -6.800617 1.227189 -1.441827


