%chk=000241002.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000241002

0 1
O -1.256281 1.253501 -1.031506
O 1.353536 1.275776 -0.872095
N -1.723788 -2.422410 0.568886
N 1.568959 -2.354531 0.139814
N -0.609559 2.227764 -0.263024
N 0.602368 2.241712 -0.188112
C -0.611763 -3.367175 0.709025
C 0.540239 -3.307471 -0.318566
C -2.748792 -0.344090 -0.062338
C 2.881947 -0.363272 -0.125863
C -2.552197 0.976160 -0.521283
C 2.587280 1.013896 -0.229020
C -1.596080 -1.271076 -0.000504
C 1.886896 -1.349409 -0.605454
C -4.049666 -0.703241 0.319103
C 4.115435 -0.726496 0.424803
C -3.570126 1.926047 -0.576742
C 3.462146 2.009234 0.199210
C -5.090731 0.230122 0.258039
C 5.014709 0.259309 0.851769
C -4.854715 1.536608 -0.182059
C 4.691173 1.614640 0.741628
H -1.072778 -4.384401 0.671313
H -0.200106 -3.254992 1.745462
H 1.034141 -4.308886 -0.361536
H 0.138787 -3.116663 -1.337720
H -0.680294 -0.859990 -0.462025
H 1.467722 -1.100424 -1.597782
H -4.237569 -1.720798 0.675293
H 4.362973 -1.784607 0.531558
H -3.359345 2.938882 -0.916789
H 3.187789 3.060369 0.118639
H -6.094598 -0.065378 0.562462
H 5.971306 -0.036809 1.280846
H -5.672019 2.256834 -0.218769
H 5.396402 2.373466 1.081438


%chk=000241002-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000241002

0 1
O -1.172793 1.164441 -1.060134
O 1.410398 1.352318 -1.092337
N -1.722561 -2.524528 0.597913
N 1.598649 -2.429854 0.162399
N -0.591369 2.411701 -0.419047
N 0.661039 2.503117 -0.416878
C -0.640512 -3.532282 0.564809
C 0.576154 -3.352994 -0.387263
C -2.722344 -0.404379 -0.060730
C 2.804583 -0.307306 -0.037816
C -2.487243 0.913024 -0.546641
C 2.614398 1.063259 -0.372585
C -1.637556 -1.414035 -0.081388
C 1.806671 -1.309350 -0.474781
C -4.023482 -0.704736 0.423988
C 3.970733 -0.657445 0.691578
C -3.485319 1.906441 -0.545847
C 3.537835 2.061340 -0.008672
C -5.036088 0.274638 0.429438
C 4.907952 0.328420 1.063406
C -4.767548 1.580079 -0.054702
C 4.693364 1.684257 0.710722
H -1.132092 -4.496598 0.326843
H -0.264381 -3.630511 1.602747
H 1.055979 -4.346706 -0.472965
H 0.222465 -3.058471 -1.404658
H -0.771526 -1.141306 -0.703194
H 1.236878 -1.033875 -1.386663
H -4.201061 -1.717884 0.798693
H 4.114691 -1.710337 0.954354
H -3.252149 2.911327 -0.909660
H 3.340267 3.105967 -0.265188
H -6.033739 0.027946 0.807627
H 5.804968 0.046122 1.624381
H -5.554431 2.341810 -0.049389
H 5.422574 2.448589 0.999743


