%chk=000245552.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245552

0 1
O -0.202530 -2.127390 0.138311
N -0.593991 0.134991 -0.051386
N -0.143567 1.417337 -0.168843
C 2.171896 0.630477 -0.068905
C 1.717471 -0.697391 0.053066
C 1.148382 1.677405 -0.184661
C 0.270988 -1.010902 0.057084
C -2.049209 0.018976 -0.024138
C 3.557552 0.887944 -0.071446
C 2.640177 -1.756563 0.173226
C 1.540689 3.112730 -0.329700
C 4.459279 -0.163242 0.046919
C 4.002656 -1.488856 0.170035
C -2.664469 -1.083167 -0.640904
C -2.816456 1.006805 0.617919
C -4.056456 -1.190543 -0.605881
C -4.207072 0.883072 0.634434
C -4.829746 -0.211815 0.026299
H 3.919808 1.910703 -0.165888
H 2.262170 -2.779643 0.267719
H 0.661595 3.774669 -0.412962
H 2.144368 3.268985 -1.235287
H 2.119719 3.455961 0.539429
H 5.531922 0.035547 0.045124
H 4.722341 -2.301774 0.262516
H -2.065768 -1.859593 -1.122396
H -2.334790 1.863416 1.089488
H -4.539208 -2.046613 -1.076580
H -4.808248 1.645824 1.127869
H -5.913705 -0.302748 0.046636


%chk=000245552-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245552

0 1
O -0.130732 -2.253133 0.045469
N -0.588047 0.074204 -0.053413
N -0.148601 1.405096 -0.083659
C 2.175710 0.637159 -0.045382
C 1.732305 -0.719381 -0.002434
C 1.153950 1.676737 -0.082838
C 0.290017 -1.056330 -0.001211
C -2.040458 -0.038734 -0.033690
C 3.573715 0.912079 -0.046991
C 2.676405 -1.777511 0.041608
C 1.512231 3.145665 -0.127599
C 4.500652 -0.142827 -0.004246
C 4.052007 -1.492013 0.040955
C -2.705650 -1.233756 -0.414612
C -2.801328 1.094687 0.356970
C -4.117306 -1.279808 -0.397164
C -4.208758 1.029487 0.372247
C -4.878888 -0.157444 -0.004882
H 3.924610 1.948315 -0.080316
H 2.297916 -2.803764 0.075836
H 0.590075 3.745672 -0.158455
H 2.116961 3.384478 -1.022468
H 2.098924 3.444413 0.761339
H 5.574699 0.072835 -0.005038
H 4.781592 -2.307990 0.074694
H -2.130789 -2.114514 -0.697541
H -2.281454 2.013466 0.633000
H -4.618902 -2.207672 -0.693613
H -4.781866 1.910703 0.681589
H -5.973192 -0.205517 0.008943


