%chk=000229513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000229513

0 1
O 5.318066 -0.043114 -0.617829
O 4.712894 1.167554 1.071223
N -2.086648 -0.807783 -0.268522
N -1.236778 -2.835812 -0.652193
N -3.114060 -1.702733 -0.461790
N -2.587741 -2.873953 -0.681945
N 4.490032 0.372079 0.174175
C 0.490126 -1.037335 -0.237631
C -0.873496 -1.542937 -0.388345
C -2.306500 0.599814 -0.028885
C 1.483475 -1.495012 -1.120697
C 0.807820 -0.133278 0.790994
C 3.098424 -0.124495 0.033279
C 2.794408 -1.037070 -0.987073
C 2.116595 0.326511 0.928522
C -1.500795 1.543464 -0.686715
C -3.331002 0.991098 0.847223
C -1.720169 2.900234 -0.439968
C -3.534880 2.354605 1.074916
C -2.731347 3.306273 0.438640
H 1.229687 -2.219853 -1.901458
H 0.037664 0.203990 1.488220
H 3.583733 -1.383519 -1.665705
H 2.386026 1.030258 1.725362
H -0.724075 1.229108 -1.383991
H -3.964895 0.244361 1.331435
H -1.102061 3.646425 -0.941776
H -4.328859 2.674375 1.752003
H -2.896546 4.368449 0.622932


%chk=000229513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000229513

0 1
O 5.541342 -0.502519 -0.411868
O 4.900093 1.121034 1.057133
N -2.036445 -0.725865 -0.319574
N -1.153205 -2.694810 -0.879598
N -3.117479 -1.617879 -0.563106
N -2.550721 -2.788217 -0.899392
N 4.643410 0.150148 0.245807
C 0.535496 -0.957120 -0.312603
C -0.848853 -1.411253 -0.514772
C -2.330731 0.650906 -0.019584
C 1.565632 -1.652912 -1.005943
C 0.878399 0.091079 0.585661
C 3.223486 -0.238876 0.056163
C 2.912724 -1.294763 -0.829113
C 2.224022 0.453962 0.773030
C -1.683489 1.685508 -0.734932
C -3.311889 0.938905 0.956348
C -2.005460 3.027960 -0.442772
C -3.630639 2.285766 1.232759
C -2.976105 3.331529 0.540791
H 1.289260 -2.475327 -1.671594
H 0.102825 0.614241 1.150663
H 3.718905 -1.811953 -1.355461
H 2.511702 1.252837 1.461059
H -0.952439 1.446028 -1.513729
H -3.815128 0.118226 1.475520
H -1.508958 3.833874 -0.992956
H -4.390107 2.516515 1.986767
H -3.226552 4.374680 0.759699


