%chk=000269057.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000269057

0 1
O 0.634881 2.207093 0.095317
O -1.452378 -2.189796 -0.267333
O 5.365856 -1.446895 -0.370606
O 5.477460 0.701107 -0.151261
N -0.826536 0.023894 -0.093429
N 4.853832 -0.345663 -0.246560
C 0.580714 -0.132988 -0.136483
C 1.388553 1.055642 -0.032411
C 1.225044 -1.366093 -0.276192
C 2.770535 0.992247 -0.067346
C 3.379707 -0.272606 -0.209043
C 2.622865 -1.439675 -0.312966
C -3.191344 -0.535142 -0.117167
C -1.778432 -1.025732 -0.174706
C -4.025663 -1.011127 0.903113
C -3.684455 0.346045 -1.088557
C -5.356761 -0.588251 0.958254
C -5.017796 0.759902 -1.029557
C -5.851733 0.296199 -0.005821
C 1.348581 3.459431 0.249176
H 0.632461 -2.289444 -0.357006
H -1.163058 0.989858 0.026715
H 3.400901 1.881951 0.009960
H 3.119700 -2.410681 -0.422580
H -3.638527 -1.713696 1.643391
H -3.038368 0.697767 -1.893288
H -6.009693 -0.953843 1.750513
H -5.408778 1.441576 -1.784276
H -6.891320 0.621849 0.037691
H 1.955662 3.441746 1.159610
H 0.520677 4.175055 0.340247
H 1.950413 3.664571 -0.641601


%chk=000269057-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000269057

0 1
O 0.609230 2.191005 -0.139112
O -1.510317 -2.237494 0.176083
O 5.465556 -1.486322 -0.219699
O 5.524633 0.795179 -0.300344
N -0.786705 -0.015866 -0.009071
N 4.885082 -0.330868 -0.234015
C 0.606778 -0.189623 -0.056288
C 1.382677 1.018788 -0.130214
C 1.276236 -1.439978 -0.039030
C 2.780711 0.979396 -0.188217
C 3.413443 -0.287389 -0.172128
C 2.681852 -1.489997 -0.099004
C -3.196512 -0.495676 0.031242
C -1.779416 -1.002395 0.068059
C -4.208885 -1.382518 0.481402
C -3.565058 0.788968 -0.452181
C -5.561527 -0.987379 0.470856
C -4.920892 1.181539 -0.465950
C -5.921676 0.297917 0.000642
C 1.315819 3.476298 -0.200670
H 0.679574 -2.350768 0.024923
H -1.077055 0.966957 -0.007291
H 3.401656 1.875828 -0.246161
H 3.215918 -2.442968 -0.087950
H -3.907210 -2.376179 0.827978
H -2.817052 1.481033 -0.858539
H -6.334066 -1.677884 0.825584
H -5.197276 2.169679 -0.849122
H -6.973083 0.605332 -0.010708
H 1.976963 3.602463 0.676671
H 0.527351 4.242182 -0.189568
H 1.906251 3.555044 -1.132378


