%chk=000232022.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000232022

0 1
O 3.272621 1.271449 -0.000226
O 3.090872 -0.871329 -0.002881
N -2.981827 1.238327 0.002229
N 2.595259 0.247197 -0.000792
C -1.170693 -0.407530 0.000410
C 0.224706 -0.690928 0.000109
C -1.627190 0.967329 0.000524
C -0.691063 2.028827 0.000447
C 1.144605 0.410519 -0.000166
C 0.671709 1.727297 0.000190
C -2.099694 -1.495805 0.000741
C 0.637571 -2.061658 0.000113
C -1.129351 3.458371 0.000869
C -1.672451 -2.799175 0.000744
C -0.278203 -3.082274 0.000426
H 1.403246 2.550806 0.000170
H -3.169254 -1.282959 0.001148
H 1.711974 -2.292458 -0.000149
H -1.721333 3.703014 0.893786
H -0.273546 4.150586 0.001624
H -1.720556 3.703903 -0.892279
H -2.381491 -3.624657 0.001035
H 0.049748 -4.122767 0.000440
H -3.327591 2.180603 -0.002750
H -3.664268 0.499811 -0.002760


%chk=000232022-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000232022

0 1
O 3.345148 1.367569 0.001546
O 3.184903 -0.896619 -0.003013
N -2.980973 1.260541 -0.000142
N 2.631848 0.279517 -0.000481
C -1.169391 -0.414464 0.000194
C 0.253415 -0.716534 -0.000140
C -1.628444 0.965567 0.000142
C -0.690435 2.035520 0.000300
C 1.167998 0.406966 -0.000089
C 0.682785 1.728250 0.000256
C -2.108917 -1.495551 0.000587
C 0.646954 -2.098425 -0.000126
C -1.161740 3.476819 0.000375
C -1.693715 -2.828139 0.000603
C -0.301753 -3.124777 0.000231
H 1.421266 2.534578 0.000391
H -3.186959 -1.298007 0.001081
H 1.710982 -2.330840 -0.000510
H -1.771712 3.714472 0.895632
H -0.304506 4.168299 0.000533
H -1.771526 3.714611 -0.894969
H -2.431883 -3.636686 0.000961
H 0.033886 -4.167320 0.000222
H -3.294057 2.226994 0.000118
H -3.689374 0.534159 -0.000702


