%chk=000219829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219829

0 1
O -2.676157 1.443953 -0.177591
O -4.250732 -0.947129 -0.190676
O 3.885833 1.743967 0.319367
N 2.152112 -0.394049 0.120256
N 3.510062 -0.580554 0.176981
N 5.700002 0.332340 0.297742
C -0.095072 -1.227877 0.118383
C -2.030114 0.222947 -0.080910
C -2.880114 -0.919148 -0.094209
C -0.650961 0.062815 0.024629
C -0.932871 -2.352144 0.105672
C -2.316824 -2.199386 -0.000453
C 1.362699 -1.428038 0.235643
C -1.848426 2.634330 -0.169820
C -4.953940 0.316999 -0.294779
C 4.307741 0.611860 0.256299
H 0.017404 0.927338 0.034558
H -0.515825 -3.354959 0.176539
H -2.977739 -3.065754 -0.012170
H 1.679274 -2.466504 0.412934
H -1.171709 2.634007 -1.029929
H -1.301451 2.712114 0.774881
H -2.600556 3.427498 -0.258138
H -4.640381 0.847311 -1.200275
H -4.769623 0.923449 0.598391
H -5.997371 -0.010988 -0.355825
H 3.917803 -1.487110 0.433614
H 6.075732 -0.497085 -0.133850
H 6.304307 1.143099 0.203037


%chk=000219829-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000219829

0 1
O -2.700470 1.493914 -0.179455
O -4.298787 -0.980553 -0.153824
O 4.066874 1.815550 0.142129
N 2.181695 -0.279513 0.144566
N 3.542956 -0.492616 0.218988
N 5.768456 0.225932 0.296849
C -0.061601 -1.192692 0.072442
C -2.064027 0.239560 -0.091871
C -2.904232 -0.927634 -0.084245
C -0.667171 0.091296 -0.013942
C -0.894031 -2.341222 0.079966
C -2.290616 -2.200469 0.002494
C 1.393435 -1.336256 0.150836
C -1.842196 2.682864 -0.183839
C -5.145833 0.222257 -0.244051
C 4.427317 0.613420 0.213537
H -0.002320 0.959479 -0.018322
H -0.452111 -3.342406 0.145889
H -2.952243 -3.071879 0.006712
H 1.786982 -2.372752 0.213707
H -1.158359 2.681520 -1.053960
H -1.250697 2.754642 0.748717
H -2.535139 3.534408 -0.253996
H -4.923984 0.800392 -1.155768
H -5.015439 0.869939 0.638176
H -6.170659 -0.179474 -0.280618
H 3.920159 -1.450954 0.276717
H 6.089132 -0.738244 0.357418
H 6.456012 0.974793 0.295049


