%chk=000216310.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000216310

0 1
O 0.857032 2.196892 -0.252226
N 2.943363 -0.495498 0.393197
N 0.197147 0.286066 0.867484
C 3.158637 -0.607338 -1.090797
C 4.239135 -0.939443 1.011063
C 4.672300 -0.484885 -1.368694
C 5.369903 -0.699655 -0.012964
C 2.588414 0.899979 0.795762
C 1.140199 1.198153 0.385252
C -1.199079 0.297617 0.491549
C -1.718613 -0.831570 -0.186411
C -2.015151 1.391839 0.851103
C -3.093611 -0.865447 -0.482207
C -3.383472 1.349361 0.506869
C -3.905108 0.224690 -0.140597
C -0.826496 -1.969044 -0.573877
C -1.430951 2.564885 1.566805
C -3.712165 -2.045606 -1.164610
C -4.297929 2.491159 0.823605
H 2.569358 0.140213 -1.654835
H 2.782541 -1.609201 -1.388342
H 4.125294 -2.024413 1.224713
H 4.436682 -0.441014 1.976160
H 4.918523 0.505509 -1.787537
H 5.000177 -1.226666 -2.114604
H 6.062675 -1.555921 -0.046754
H 5.975839 0.179452 0.262369
H 2.683139 1.006275 1.898749
H 3.243539 1.681031 0.347188
H 0.537876 -0.605831 1.244526
H -4.964861 0.196379 -0.388682
H -0.780661 -2.722458 0.224470
H 0.202121 -1.646266 -0.790349
H -1.177692 -2.476782 -1.482564
H -0.818082 3.163875 0.864626
H -2.181814 3.231657 2.001602
H -0.765691 2.252576 2.383062
H -4.801959 -1.953637 -1.256849
H -3.313279 -2.168890 -2.181678
H -3.513317 -2.975146 -0.613487
H -5.326878 2.313576 0.486722
H -4.340182 2.681984 1.905138
H -3.954704 3.415744 0.335946


%chk=000216310-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000216310

0 1
O 0.786311 2.564006 -0.475616
N 2.854187 -0.352994 0.396525
N 0.283800 0.412904 0.376233
C 3.193189 -0.966374 -0.931507
C 4.011141 -0.740710 1.260798
C 4.754990 -0.888958 -1.079877
C 5.279989 -0.598437 0.364682
C 2.611749 1.115620 0.306220
C 1.128094 1.446138 0.012939
C -1.145173 0.361771 0.257132
C -1.707020 -0.754209 -0.434352
C -1.952708 1.374424 0.852364
C -3.120709 -0.849040 -0.547045
C -3.366486 1.284660 0.696076
C -3.918452 0.180770 0.006411
C -0.791031 -1.807300 -1.037984
C -1.325389 2.497041 1.654320
C -3.790714 -2.012686 -1.261938
C -4.293359 2.342122 1.274327
H 2.654154 -0.443584 -1.739643
H 2.862139 -2.021559 -0.926290
H 3.877813 -1.797155 1.563329
H 4.037533 -0.125631 2.175674
H 5.053992 -0.089594 -1.779693
H 5.154621 -1.838864 -1.475990
H 6.081715 -1.293034 0.669731
H 5.682871 0.428179 0.432616
H 2.864115 1.581284 1.277863
H 3.216390 1.629531 -0.469955
H 0.823543 -0.434760 0.631026
H -5.009040 0.116163 -0.097591
H -0.398744 -2.504604 -0.269086
H 0.082498 -1.340144 -1.527770
H -1.314432 -2.418868 -1.790053
H -0.966733 3.303991 0.988791
H -2.035903 2.925112 2.380399
H -0.440756 2.134626 2.208997
H -4.889104 -1.925329 -1.203663
H -3.518098 -2.051171 -2.334583
H -3.508065 -2.987416 -0.821068
H -5.340458 2.144641 0.987330
H -4.250511 2.367985 2.380711
H -4.029753 3.355657 0.919108


