%chk=000268564.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268564

0 1
O 5.644863 0.769678 0.168457
O 5.361202 -1.332669 -0.271166
N 1.600289 1.423083 0.304343
N 1.282289 -0.937294 -0.190139
N 4.949549 -0.209759 -0.036510
C -3.011343 -0.213005 -0.065535
C -1.558322 -0.421372 -0.110083
C 0.788966 0.326446 0.074571
C -0.654457 0.548993 0.122303
C -3.589394 1.022605 -0.403345
C -3.841797 -1.284263 0.314458
C 3.498742 -0.022647 0.002138
C -4.976499 1.184555 -0.355883
C -5.225972 -1.113301 0.368021
C -5.795676 0.120171 0.032205
C 2.935637 1.249066 0.268320
C 2.619507 -1.107152 -0.225360
H -1.235771 -1.448019 -0.341935
H -0.949624 1.576481 0.372239
H -2.957647 1.855235 -0.712490
H -3.404387 -2.247816 0.575061
H -5.419331 2.143857 -0.621834
H -5.864364 -1.942920 0.669995
H 3.577338 2.128568 0.452644
H 3.006037 -2.119404 -0.437310
H -6.876536 0.249681 0.071735


%chk=000268564-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268564

0 1
O 5.737332 0.744396 -0.024323
O 5.364579 -1.512370 0.085902
N 1.652924 1.496869 -0.075670
N 1.259777 -0.926591 0.045932
N 4.955629 -0.285740 0.024769
C -3.012445 -0.163778 0.006123
C -1.559248 -0.336140 0.013085
C 0.819520 0.388193 -0.022385
C -0.608987 0.657570 -0.037001
C -3.649430 1.112805 -0.058150
C -3.835056 -1.328177 0.066548
C 3.510124 -0.048384 0.008485
C -5.052407 1.214062 -0.061837
C -5.240428 -1.225747 0.062847
C -5.854957 0.046747 -0.001458
C 2.988852 1.266787 -0.059709
C 2.595469 -1.132189 0.060375
H -1.182923 -1.367469 0.065197
H -0.867361 1.719920 -0.090597
H -3.044893 2.024795 -0.104928
H -3.358209 -2.314559 0.116889
H -5.527844 2.199612 -0.111788
H -5.855394 -2.130696 0.109587
H 3.658469 2.131074 -0.101562
H 2.957341 -2.163444 0.113213
H -6.947133 0.131251 -0.004645


