%chk=000240849.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240849

0 1
S -2.485223 -0.451470 1.361072
N -1.451907 3.059251 0.391089
C 1.066163 0.230480 -0.229396
C 2.271146 1.121857 0.138338
C 1.263782 -1.176773 0.370098
C -0.259573 0.872179 0.275546
C 3.584906 0.505654 -0.358924
C 2.577961 -1.803611 -0.115660
C 3.781858 -0.907787 0.206476
C -0.509869 2.235733 -0.421776
C -1.422926 -0.024346 0.032472
C -1.869441 -0.609320 -1.114168
C -3.064315 -1.404812 -0.931784
C -3.521079 -1.419557 0.348111
H 1.014383 0.137231 -1.340397
H 2.314995 1.261489 1.235768
H 2.141373 2.135455 -0.289832
H 0.416677 -1.833630 0.095075
H 1.259059 -1.120844 1.474983
H -0.145810 1.069404 1.376515
H 4.435046 1.150393 -0.067869
H 3.590777 0.471320 -1.465050
H 2.526512 -1.983553 -1.206545
H 2.711973 -2.797096 0.351679
H 4.706544 -1.354248 -0.202850
H 3.925084 -0.854810 1.302854
H 0.450474 2.802902 -0.483049
H -0.849876 2.071546 -1.466052
H -1.397723 -0.514316 -2.081648
H -2.302950 2.540179 0.593562
H -1.729723 3.886432 -0.129029
H -3.523605 -1.926175 -1.760966
H -4.378992 -1.925856 0.752156


%chk=000240849-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240849

0 1
S -2.432903 -0.633338 1.436855
N -1.705733 2.903213 0.295808
C 1.078462 0.223695 -0.210176
C 2.325765 1.126255 -0.007746
C 1.302654 -1.150454 0.475642
C -0.238245 0.892765 0.316926
C 3.630203 0.432885 -0.473820
C 2.600396 -1.842764 -0.001259
C 3.832486 -0.934956 0.216217
C -0.496408 2.302876 -0.291851
C -1.439417 0.000636 0.060285
C -1.953633 -0.459040 -1.147258
C -3.115836 -1.306838 -1.017495
C -3.507398 -1.508988 0.296106
H 0.959476 0.045644 -1.302637
H 2.409922 1.383468 1.070014
H 2.211236 2.080233 -0.556927
H 0.432274 -1.807114 0.291321
H 1.357524 -0.993357 1.574369
H -0.132261 1.041754 1.410929
H 4.495921 1.095818 -0.279083
H 3.585762 0.280131 -1.572652
H 2.511855 -2.084421 -1.081271
H 2.731541 -2.805154 0.530755
H 4.748610 -1.425481 -0.166672
H 3.981661 -0.777170 1.304740
H 0.355759 2.961014 -0.046235
H -0.524586 2.200186 -1.406315
H -1.508969 -0.199066 -2.112123
H -2.555352 2.350257 0.141057
H -1.838285 3.894225 0.075958
H -3.638618 -1.749667 -1.869181
H -4.338163 -2.093947 0.686517


