%chk=000229531.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229531

0 1
O 1.992391 1.938182 1.124789
O 3.818966 1.674160 -0.129946
O -0.380276 -1.194771 -1.670496
N 0.394023 0.436812 -0.257315
C 1.819399 0.298005 -0.658973
C 2.374084 -1.099597 -0.298941
C 2.320371 -1.419774 1.198848
C 1.974703 0.581173 -2.157469
C 2.679259 1.347986 0.083769
C 2.900700 -2.801456 1.488787
C -0.610392 -0.372925 -0.799869
C -1.974983 -0.111282 -0.234879
C -3.013371 0.218899 -1.115585
C -2.220197 -0.233133 1.138737
C -4.298766 0.444101 -0.614714
C -3.508951 -0.011547 1.632336
C -4.545976 0.330217 0.757386
H 3.414369 -1.188122 -0.671416
H 1.789081 -1.860001 -0.867373
H 1.272799 -1.373121 1.557817
H 2.874157 -0.654039 1.777603
H 1.441639 -0.184595 -2.749010
H 3.027102 0.568874 -2.468797
H 1.552608 1.551294 -2.443888
H 0.178507 1.115856 0.476464
H 2.353066 -3.589696 0.957785
H 3.951764 -2.872845 1.185235
H 2.852962 -3.034365 2.558665
H 2.533515 2.617793 1.607617
H -2.817133 0.289212 -2.186807
H -1.415542 -0.510204 1.819414
H -5.108676 0.702945 -1.295538
H -3.705776 -0.108042 2.699077
H -5.549324 0.503904 1.145286


%chk=000229531-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229531

0 1
O 1.923936 2.064639 1.217986
O 3.939514 1.442326 0.255076
O -0.384325 -1.092335 -1.695645
N 0.443581 0.465740 -0.165560
C 1.868736 0.360967 -0.558683
C 2.426736 -1.089306 -0.361093
C 2.294933 -1.642979 1.073398
C 2.071376 0.806876 -2.039769
C 2.701870 1.310028 0.316131
C 2.813770 -3.093544 1.173619
C -0.576274 -0.268678 -0.741003
C -1.959557 -0.027420 -0.180041
C -3.060238 -0.432716 -0.977374
C -2.203715 0.552399 1.093185
C -4.381500 -0.241932 -0.523871
C -3.527284 0.739170 1.549064
C -4.619486 0.348778 0.739873
H 3.491266 -1.072484 -0.662038
H 1.880035 -1.738852 -1.067184
H 1.233689 -1.607492 1.387000
H 2.860584 -1.002786 1.781416
H 1.500904 0.124445 -2.689602
H 3.141602 0.764865 -2.302528
H 1.703880 1.836851 -2.194275
H 0.223651 1.175321 0.536054
H 2.244480 -3.762166 0.501428
H 3.880469 -3.155716 0.886952
H 2.716722 -3.484911 2.202748
H 2.515536 2.668351 1.742178
H -2.848242 -0.900420 -1.944420
H -1.374396 0.831056 1.755035
H -5.224222 -0.553440 -1.150681
H -3.706387 1.179618 2.536107
H -5.645545 0.495645 1.095118


