%chk=000258310.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000258310

0 1
O 4.587326 -1.124207 -0.803401
N -0.026255 0.102269 0.705932
N 2.800461 0.143333 -0.218101
C 0.690399 1.351995 0.300567
C 0.761638 -1.138671 0.410977
C 2.198220 1.235382 0.591122
C 1.858730 -0.926535 -0.646386
C -1.417214 0.036991 0.335757
C 4.180512 -0.103175 -0.268327
C -2.062565 1.022118 -0.432426
C -2.181909 -1.024789 0.873392
C 5.094839 0.948837 0.292000
C -3.440333 0.948850 -0.655116
C -3.550705 -1.090926 0.638316
C -4.197070 -0.104915 -0.129171
C -5.669654 -0.191327 -0.367799
H 0.261536 2.183077 0.907198
H 0.535876 1.609131 -0.772426
H 0.102136 -1.973622 0.090215
H 1.219361 -1.448438 1.380065
H 2.695998 2.197702 0.337678
H 2.361893 1.045395 1.677447
H 2.425739 -1.874541 -0.819453
H 1.418545 -0.636896 -1.626766
H -1.506729 1.848594 -0.867340
H -1.702832 -1.780893 1.492841
H 4.956416 1.093160 1.370431
H 4.969367 1.918987 -0.205551
H 6.143941 0.643063 0.138487
H -3.923951 1.722624 -1.249583
H -4.129561 -1.912335 1.058589
H -6.228625 -0.136487 0.577289
H -6.043025 0.616834 -1.009353
H -5.940806 -1.139086 -0.853802


%chk=000258310-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000258310

0 1
O 4.898507 -1.170686 -0.229803
N 0.001854 0.012172 -0.050702
N 2.913167 0.029364 -0.074019
C 0.755847 1.242513 -0.335152
C 0.779398 -1.236798 0.092621
C 2.138003 1.217199 0.348502
C 2.139987 -1.112708 -0.612919
C -1.403824 0.003949 -0.013127
C 4.287941 -0.106855 0.106414
C -2.173238 1.113749 -0.477129
C -2.118784 -1.124987 0.495531
C 5.022364 1.086260 0.717226
C -3.582663 1.088987 -0.421079
C -3.526089 -1.131289 0.532682
C -4.295218 -0.027604 0.080691
C -5.813754 -0.047422 0.135874
H 0.202146 2.109636 0.069167
H 0.883919 1.413842 -1.427863
H 0.223847 -2.070667 -0.378095
H 0.935188 -1.503298 1.160981
H 2.679880 2.141866 0.078777
H 1.993458 1.219827 1.449541
H 2.746992 -2.021574 -0.463887
H 1.986721 -0.992160 -1.704070
H -1.680449 1.989100 -0.912250
H -1.575662 -1.990044 0.888855
H 4.564781 1.419037 1.666482
H 5.032112 1.949140 0.024936
H 6.061022 0.778920 0.906425
H -4.140251 1.958728 -0.791218
H -4.039278 -2.014629 0.934632
H -6.182246 -0.141470 1.175573
H -6.242385 0.878472 -0.286098
H -6.231594 -0.899070 -0.434198


