%chk=000219666.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219666

0 1
O -3.194311 2.137708 1.287241
O 5.203992 0.454935 0.365539
O 1.605555 -2.851352 0.870347
O -0.092858 -1.622849 1.389169
N -0.311823 0.461431 -0.541256
N 1.030663 -1.780277 0.927794
C -2.692173 0.326645 -0.207281
C -3.184068 -1.124688 -0.038722
C -4.654811 -1.258718 -0.445467
C -5.545724 -0.306149 0.361222
C -5.090209 1.149966 0.218158
C -3.617608 1.296181 0.528660
C -1.277533 0.432682 0.317746
C 1.062051 0.492786 -0.182104
C 1.743176 -0.583712 0.427720
C 1.816368 1.610661 -0.616406
C 3.137540 -0.568170 0.575719
C 3.192721 1.654849 -0.450686
C 3.848934 0.557980 0.142742
C 6.044352 1.551766 -0.068446
H -2.722148 0.591968 -1.299570
H -3.041110 -1.455583 1.010495
H -2.551318 -1.799524 -0.650261
H -4.988063 -2.304219 -0.293566
H -4.769570 -1.061132 -1.529005
H -5.535510 -0.595658 1.431590
H -6.598855 -0.399751 0.032623
H -5.680783 1.807824 0.889745
H -5.286383 1.520436 -0.808533
H -1.190109 0.468642 1.418670
H 1.291863 2.443484 -1.092671
H 3.668353 -1.418174 1.016116
H 3.751082 2.527980 -0.783243
H 5.787659 2.467031 0.472143
H 5.978697 1.678648 -1.152683
H 7.041062 1.191451 0.223362


%chk=000219666-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219666

0 1
O -3.082766 2.563999 0.372631
O 5.291496 0.560817 0.204019
O 2.291512 -3.342506 -0.319669
O 0.229232 -2.578014 0.293680
N -0.295126 -0.081913 -0.467074
N 1.467917 -2.386046 -0.028717
C -2.698180 0.215148 -0.208137
C -3.311591 -0.994532 0.587605
C -4.793802 -1.211828 0.213103
C -5.631632 0.062530 0.462785
C -5.051244 1.281670 -0.312320
C -3.567364 1.466299 -0.018312
C -1.268341 0.438494 0.214913
C 1.068004 0.100020 -0.169356
C 1.974565 -1.002607 -0.058747
C 1.641784 1.401028 -0.145633
C 3.365203 -0.821889 0.054424
C 3.028880 1.601725 -0.017372
C 3.899834 0.483614 0.079169
C 5.896510 1.895580 0.247807
H -2.712281 -0.063888 -1.281419
H -3.226653 -0.795080 1.674791
H -2.704993 -1.891884 0.371498
H -5.202461 -2.055495 0.800733
H -4.866302 -1.500395 -0.855263
H -5.641687 0.292772 1.546727
H -6.682606 -0.096300 0.157610
H -5.583476 2.216139 -0.064970
H -5.169570 1.097598 -1.400722
H -1.108008 0.998132 1.156946
H 0.974477 2.261820 -0.259017
H 4.022555 -1.690883 0.132241
H 3.418374 2.623639 0.000774
H 5.531300 2.474730 1.118049
H 5.699410 2.457443 -0.685817
H 6.976135 1.715159 0.349942


