%chk=000246838.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246838

0 1
O -2.123651 1.885375 -0.038059
N -3.472940 0.084093 0.145042
C -4.712740 0.910347 0.066598
C -3.774663 -1.371137 0.100434
C -5.838669 -0.069675 -0.301935
C -5.310710 -1.479811 0.024957
C -1.023651 -0.275338 0.063360
C 0.291396 0.513730 0.022176
C -2.210409 0.667580 0.037695
C 1.507459 -0.418853 0.035383
C 2.817565 0.379815 -0.005183
C 4.040909 -0.546513 0.007265
C 5.349393 0.254077 -0.033456
C 6.575322 -0.669930 -0.020618
C 7.880189 0.122485 -0.060581
H -4.887939 1.395427 1.050605
H -4.585829 1.723836 -0.679655
H -3.293485 -1.842946 -0.781934
H -3.375697 -1.866899 1.009947
H -6.763219 0.152871 0.255883
H -6.091841 0.011953 -1.374124
H -5.623744 -2.210769 -0.738551
H -5.722337 -1.833285 0.987084
H 0.306486 1.162798 -0.877486
H 0.329095 1.216480 0.879696
H -1.074888 -0.971570 -0.797837
H -1.058082 -0.906229 0.974479
H 1.464143 -1.111482 -0.826988
H 1.486035 -1.057727 0.939128
H 2.839496 1.021313 -0.907653
H 2.861751 1.074336 0.856300
H 3.997265 -1.239498 -0.854862
H 4.019589 -1.186227 0.910443
H 5.394396 0.948563 0.827443
H 5.372380 0.894848 -0.935874
H 6.532948 -1.363220 -0.883297
H 6.554665 -1.309882 0.883100
H 7.971518 0.793131 0.801418
H 7.949868 0.739793 -0.963473
H 8.749326 -0.544458 -0.051072


%chk=000246838-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246838

0 1
O -2.209398 1.971234 0.257526
N -3.534309 0.087229 0.045235
C -4.791618 0.883091 0.049807
C -3.788301 -1.368712 -0.095835
C -5.869121 -0.141591 -0.376238
C -5.312484 -1.492198 0.147166
C -1.072713 -0.218537 0.102351
C 0.254799 0.560276 0.043892
C -2.300407 0.705316 0.140621
C 1.485964 -0.371842 0.061189
C 2.826064 0.395407 0.000568
C 4.062645 -0.531057 0.021038
C 5.404145 0.233923 -0.037903
C 6.639620 -0.695032 -0.016408
C 7.976208 0.075859 -0.076989
H -4.980118 1.289436 1.062697
H -4.696597 1.743343 -0.634443
H -3.519391 -1.721453 -1.113621
H -3.197386 -1.953891 0.631852
H -6.862138 0.100734 0.037789
H -5.954751 -0.167767 -1.478316
H -5.746993 -2.368156 -0.363483
H -5.513791 -1.589973 1.229906
H 0.268656 1.189089 -0.866946
H 0.297041 1.265496 0.894684
H -1.151488 -0.905170 -0.766077
H -1.085327 -0.868615 1.003492
H 1.432693 -1.078169 -0.794722
H 1.466052 -0.995876 0.980186
H 2.849410 1.019252 -0.917269
H 2.881430 1.101196 0.855407
H 4.006451 -1.236635 -0.834732
H 4.037786 -1.155152 0.939272
H 5.462543 0.939514 0.817322
H 5.431659 0.857574 -0.956073
H 6.579200 -1.400359 -0.870580
H 6.610970 -1.316887 0.901866
H 8.074426 0.766156 0.782205
H 8.042513 0.681112 -1.000926
H 8.842759 -0.610763 -0.059713


