%chk=000279922.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000279922

0 1
O 3.337656 2.067973 -0.065815
N -0.555818 0.352571 -0.093176
C 1.906226 0.142324 0.126243
C 2.043119 -0.781479 -1.098223
C 3.399600 -1.485830 -1.210128
C 0.724895 1.120969 -0.043361
C 3.916659 -2.063036 0.114810
C 3.201724 0.929977 0.330326
C 4.588011 -1.054467 0.996217
C 4.275752 0.241400 1.092166
C -1.726551 1.259590 -0.322086
C -3.013239 0.527593 -0.027630
C -3.289421 -0.692646 -0.663479
C -3.944527 1.070273 0.869101
C -4.487282 -1.361943 -0.403329
C -5.143927 0.398039 1.123177
C -5.417325 -0.817522 0.489040
H 1.731814 -0.489549 1.032227
H 1.860473 -0.197733 -2.024232
H 1.220672 -1.525484 -1.061991
H 4.153228 -0.784481 -1.624572
H 3.316511 -2.301961 -1.955538
H 0.843185 1.686282 -0.996549
H 0.752922 1.882393 0.767275
H 4.620693 -2.893537 -0.103552
H 3.078432 -2.532470 0.676266
H -0.687992 -0.158430 0.787747
H 5.406916 -1.462920 1.598542
H 4.839630 0.915319 1.743249
H -1.709322 1.558720 -1.398177
H -1.666751 2.205585 0.261231
H -2.559397 -1.114456 -1.355472
H -3.740190 2.015044 1.368379
H -4.697960 -2.308651 -0.897728
H -5.866065 0.823663 1.817675
H -6.351052 -1.338822 0.688367


%chk=000279922-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000279922

0 1
O 3.401202 2.251029 -0.063903
N -0.490820 0.541939 0.313685
C 1.979771 0.268533 0.162973
C 1.895050 -0.712230 -1.047751
C 3.063196 -1.724268 -1.178391
C 0.793145 1.260773 0.157208
C 3.731751 -2.133541 0.166332
C 3.319522 1.013553 0.215203
C 4.688417 -1.083920 0.702745
C 4.526243 0.274606 0.672885
C -1.697419 1.369200 0.091069
C -2.975954 0.537414 0.125412
C -3.010430 -0.759207 -0.448869
C -4.159256 1.059444 0.704717
C -4.204707 -1.513325 -0.449730
C -5.357810 0.308882 0.700639
C -5.384474 -0.981246 0.122822
H 1.921850 -0.348148 1.086296
H 1.822317 -0.112248 -1.975554
H 0.930330 -1.240760 -0.939205
H 3.854801 -1.309085 -1.830548
H 2.687268 -2.636820 -1.679513
H 0.776697 1.798676 -0.809133
H 0.962205 2.038993 0.938504
H 4.295866 -3.073981 0.022410
H 2.947195 -2.367082 0.917971
H -0.544584 0.046513 1.215541
H 5.644934 -1.462059 1.092983
H 5.351993 0.925376 0.990948
H -1.587079 1.836376 -0.909607
H -1.793328 2.214962 0.816295
H -2.088873 -1.160800 -0.883769
H -4.143117 2.057588 1.160801
H -4.217954 -2.513810 -0.897807
H -6.265188 0.726865 1.151547
H -6.311463 -1.565893 0.121795


