%chk=000246597.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246597

0 1
O -1.119053 0.629291 0.139999
O 0.049092 -1.138673 -0.727922
N 1.107981 0.712541 0.283257
C -2.404924 -0.016320 -0.225923
C -2.736577 -1.042976 0.857780
C -3.363954 1.175457 -0.252784
C -4.186842 -1.517186 0.707458
C -4.808428 0.680369 -0.396464
C -5.165138 -0.333965 0.699451
C 0.033499 -0.063706 -0.167770
C 2.487844 0.358539 0.146376
C 3.438139 1.265820 0.659094
C 2.896425 -0.837325 -0.468259
C 4.795338 0.960883 0.548878
C 4.259582 -1.118648 -0.565896
C 5.211790 -0.226880 -0.060997
H -2.272379 -0.486930 -1.223066
H -2.576537 -0.597231 1.858895
H -2.037214 -1.900483 0.790937
H -3.098946 1.861350 -1.078948
H -3.246855 1.767906 0.677113
H -4.438683 -2.210822 1.532005
H -4.295392 -2.103269 -0.226200
H -4.951898 0.222081 -1.394502
H -5.501657 1.541832 -0.354379
H -6.198066 -0.700505 0.551025
H -5.156020 0.164942 1.687895
H 0.887933 1.603462 0.738610
H 3.128031 2.191919 1.135078
H 2.157421 -1.540394 -0.866247
H 5.535233 1.657423 0.942938
H 4.581323 -2.045338 -1.042102
H 6.271333 -0.456064 -0.142430


%chk=000246597-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246597

0 1
O -1.094343 0.704414 0.211379
O 0.024562 -1.134175 -0.762105
N 1.159989 0.680815 0.262727
C -2.415715 0.072405 -0.111159
C -2.781152 -0.962212 0.968709
C -3.433318 1.217678 -0.188753
C -4.200460 -1.526990 0.707841
C -4.854723 0.654815 -0.446189
C -5.249938 -0.393317 0.623073
C 0.046850 -0.032519 -0.156209
C 2.530053 0.330077 0.116876
C 3.494268 1.236681 0.635017
C 2.957162 -0.870154 -0.511387
C 4.869552 0.947813 0.527970
C 4.338560 -1.143371 -0.609285
C 5.302530 -0.245987 -0.095278
H -2.310711 -0.434483 -1.090569
H -2.752107 -0.465374 1.959018
H -2.033969 -1.775962 0.974235
H -3.140176 1.925649 -0.985880
H -3.419192 1.773631 0.769490
H -4.467662 -2.242696 1.508115
H -4.199474 -2.098623 -0.243053
H -4.888085 0.182758 -1.449823
H -5.584570 1.486326 -0.461601
H -6.248226 -0.812812 0.393320
H -5.329360 0.105810 1.610952
H 0.947991 1.562426 0.735011
H 3.166026 2.164879 1.120405
H 2.213692 -1.563618 -0.909376
H 5.601804 1.655716 0.931930
H 4.661555 -2.071411 -1.094496
H 6.370992 -0.471085 -0.178009


