%chk=000240387.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000240387

0 1
O 2.599115 -2.337575 -0.133386
O 1.929618 2.035953 1.216978
O -2.720632 2.738908 -0.340956
N 1.884275 -0.196383 0.501053
C 4.230856 -0.666871 0.658085
C 4.033421 0.868663 0.680948
C 5.373463 -1.206335 -0.205023
C 4.431014 1.612310 -0.606422
C 5.586480 -0.426027 -1.503875
C 5.727342 1.071196 -1.212517
C 2.864607 -1.231725 0.257862
C 2.519873 1.051322 0.862648
C 0.458972 -0.378792 0.376997
C -0.370715 0.757135 0.159829
C -0.091539 -1.662834 0.466490
C -1.724087 0.544972 0.039241
C -2.293465 -0.762933 0.129875
C -1.480641 -1.860712 0.341344
C -3.756813 -0.651738 -0.036263
C -2.828472 1.549865 -0.200011
C -4.086484 0.726305 -0.231729
C -4.747453 -1.616197 -0.026475
C -5.393916 1.127806 -0.413953
C -6.084178 -1.200462 -0.213413
C -6.403652 0.140305 -0.402913
H 4.413442 -1.013705 1.712022
H 4.580326 1.311497 1.545236
H 5.180387 -2.276895 -0.436468
H 6.308881 -1.188492 0.391154
H 4.530438 2.694148 -0.384232
H 3.620879 1.536039 -1.362211
H 4.741848 -0.602951 -2.199061
H 6.487996 -0.803156 -2.023872
H 6.579054 1.251362 -0.528651
H 5.963336 1.622538 -2.143382
H 0.045026 1.768965 0.104182
H 0.551153 -2.535764 0.618950
H -1.891802 -2.866294 0.411193
H -4.514699 -2.667620 0.120183
H -5.642953 2.179167 -0.562578
H -6.875128 -1.951360 -0.207638
H -7.440977 0.439865 -0.544936


%chk=000240387-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000240387

0 1
O 2.608987 -2.302134 -0.473025
O 1.959731 1.905861 1.547855
O -2.656946 2.727072 -0.622395
N 1.907508 -0.243715 0.511810
C 4.249492 -0.735900 0.580523
C 4.050169 0.794680 0.753351
C 5.436183 -1.202021 -0.289319
C 4.379228 1.612078 -0.538121
C 5.648811 -0.334093 -1.550217
C 5.709922 1.165585 -1.181131
C 2.873199 -1.226263 0.109481
C 2.552578 0.933909 1.030564
C 0.482326 -0.404958 0.400094
C -0.334327 0.712087 0.071740
C -0.097966 -1.681901 0.614668
C -1.714619 0.506614 -0.026427
C -2.310629 -0.772314 0.185209
C -1.497272 -1.872244 0.504272
C -3.780783 -0.645148 0.002577
C -2.796592 1.500846 -0.364180
C -4.079123 0.712829 -0.323592
C -4.816315 -1.590717 0.098294
C -5.393977 1.142759 -0.555876
C -6.150316 -1.159774 -0.135432
C -6.440002 0.188428 -0.458592
H 4.371188 -1.180187 1.592040
H 4.628677 1.200613 1.599783
H 5.272029 -2.259718 -0.567528
H 6.355074 -1.165833 0.328334
H 4.392066 2.686122 -0.280096
H 3.568788 1.470647 -1.282341
H 4.821052 -0.500926 -2.268905
H 6.580125 -0.648579 -2.057213
H 6.551329 1.344345 -0.480155
H 5.904667 1.778502 -2.081370
H 0.090741 1.705703 -0.088053
H 0.546277 -2.530915 0.853705
H -1.920433 -2.868270 0.670633
H -4.612479 -2.638062 0.346483
H -5.596831 2.189544 -0.805222
H -6.969930 -1.883628 -0.064261
H -7.477411 0.492575 -0.633658


