%chk=000239298.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000239298

0 1
O -3.759108 0.814230 -0.157689
N -4.918218 -0.970631 0.663687
N -5.767342 1.229301 1.125467
C -5.364744 -2.448339 -1.238045
C -6.638430 -2.373378 -0.375133
C -4.252295 -1.741869 -0.437882
C -6.257355 -1.605431 0.906021
C 2.972424 0.825521 -0.464907
C 1.634501 0.899658 0.283113
C 4.077785 0.235278 0.421156
C 0.528606 1.489479 -0.602595
C 5.416061 0.160731 -0.326306
C -0.807756 1.559567 0.146959
C 6.521357 -0.429641 0.559769
C -1.915709 2.148396 -0.734738
C -4.904504 0.448394 0.562703
C 7.859467 -0.504241 -0.187552
C -3.264250 2.178311 -0.018961
C 8.966021 -1.094756 0.697778
C 10.300370 -1.171366 -0.041009
H -5.523072 -1.954335 -2.212086
H -5.089801 -3.492617 -1.458891
H -7.448304 -1.854629 -0.916775
H -7.019590 -3.378963 -0.133217
H -3.615398 -1.097736 -1.077887
H -3.582006 -2.477698 0.057025
H -6.123904 -2.293246 1.768589
H -7.028969 -0.862383 1.198264
H 2.858370 0.214155 -1.380816
H 3.267000 1.834917 -0.811143
H 1.749186 1.509793 1.199800
H 1.340398 -0.110240 0.629418
H 3.783619 -0.774322 0.767483
H 4.192202 0.846021 1.337433
H 0.822403 2.499158 -0.948453
H 0.415352 0.877525 -1.518488
H 5.710746 1.170140 -0.672455
H 5.302099 -0.450366 -1.242368
H -1.110770 0.546367 0.483631
H -0.693494 2.161493 1.068673
H 6.635558 0.181301 1.475913
H 6.226902 -1.439142 0.905951
H -1.648989 3.172350 -1.060783
H -2.016227 1.545010 -1.662710
H 7.747007 -1.114979 -1.103839
H 8.155447 0.504448 -0.534197
H -3.179332 2.424321 1.052889
H -3.984606 2.851203 -0.515244
H 9.081053 -0.483379 1.614163
H 8.672070 -2.105079 1.043649
H 10.639984 -0.180924 -0.364551
H 11.083332 -1.593908 0.598464
H 10.231160 -1.801612 -0.934875
H -5.628807 2.229940 1.132796


%chk=000239298-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000239298

0 1
O -3.762337 0.911249 -0.200904
N -5.335946 -0.736945 0.025891
N -5.925291 1.358196 0.914714
C -5.358824 -2.876340 -0.989309
C -6.364511 -2.867712 0.193148
C -4.435048 -1.670557 -0.686911
C -6.609118 -1.361059 0.451240
C 3.026507 0.980689 -0.374039
C 1.620402 0.880919 0.259319
C 4.094801 0.152402 0.374873
C 0.550982 1.709913 -0.487068
C 5.499275 0.241072 -0.263801
C -0.856323 1.590213 0.138978
C 6.566753 -0.586854 0.486973
C -1.918303 2.427090 -0.607339
C -5.065570 0.583485 0.295322
C 7.969835 -0.507056 -0.155982
C -3.325341 2.307907 -0.013668
C 9.036601 -1.334684 0.597041
C 10.433631 -1.255642 -0.055969
H -5.894715 -2.709687 -1.942097
H -4.795979 -3.821709 -1.072175
H -7.298857 -3.408710 -0.033229
H -5.905111 -3.334621 1.084164
H -4.019626 -1.204681 -1.596923
H -3.580436 -1.966862 -0.044265
H -6.821057 -1.118726 1.507197
H -7.452266 -0.964333 -0.149193
H 2.976613 0.643949 -1.430830
H 3.341619 2.045021 -0.402226
H 1.670288 1.214471 1.317034
H 1.305266 -0.183304 0.284621
H 3.775496 -0.910496 0.409495
H 4.149865 0.493801 1.429897
H 0.860247 2.776586 -0.503140
H 0.508768 1.382808 -1.547205
H 5.819025 1.303747 -0.300401
H 5.444330 -0.102499 -1.318150
H -1.173262 0.529537 0.144196
H -0.815274 1.912851 1.200684
H 6.626007 -0.239424 1.539862
H 6.243633 -1.648402 0.528788
H -1.630224 3.498518 -0.586742
H -1.955831 2.125553 -1.672368
H 7.912312 -0.856900 -1.208176
H 8.294702 0.553858 -0.199565
H -3.318303 2.553128 1.069395
H -4.034429 2.987213 -0.530066
H 9.096618 -0.981618 1.646932
H 8.708534 -2.393379 0.644213
H 10.797240 -0.211014 -0.088324
H 11.177344 -1.855139 0.500858
H 10.406003 -1.632112 -1.096104
H -5.613212 2.328085 1.078533


