%chk=000212391.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000212391

0 1
O 3.265134 -0.745538 0.283014
O 3.104609 1.517172 -0.006513
N -1.114941 -0.337016 -0.512568
N 1.690188 0.062978 -1.177792
N -4.733128 -0.000547 0.492390
C -0.093360 -1.372308 -0.142766
C -0.510351 1.034892 -0.448954
C 1.086359 -1.298379 -1.133674
C 0.671126 1.123332 -1.435157
C -2.319461 -0.436056 0.375260
C -3.526561 0.166834 -0.379345
C 2.698640 0.397825 -0.251765
C -5.375405 -1.340553 0.286785
C -5.692621 1.132487 0.350997
C 4.513867 -0.582146 1.029158
C 5.693203 -0.684234 0.045481
C -6.272260 -1.682990 1.477589
C -6.306341 1.333676 -1.037692
C 6.169451 0.704579 -0.384399
C 6.834634 -1.487071 0.677754
H 0.278463 -1.268625 0.899401
H -0.571343 -2.372887 -0.220517
H -1.290533 1.769880 -0.745104
H -0.175661 1.317694 0.572922
H 0.735117 -1.530613 -2.166149
H 1.865793 -2.047393 -0.868084
H 1.153298 2.125852 -1.376433
H 0.314744 0.981532 -2.481380
H -2.524455 -1.504138 0.604889
H -2.195212 0.069234 1.356719
H -3.343973 1.245075 -0.573386
H -3.627554 -0.310677 -1.377169
H -4.568642 -2.103449 0.206693
H -5.958491 -1.396517 -0.658191
H -5.158784 2.057058 0.666175
H -6.502157 0.975956 1.099428
H 4.449034 -1.436237 1.725653
H 4.487810 0.371275 1.584322
H 5.326388 -1.232782 -0.861406
H -6.588794 -2.730147 1.442053
H -7.173766 -1.061014 1.503428
H -5.743013 -1.522261 2.426550
H -7.003266 2.178696 -1.039284
H -6.865494 0.449683 -1.364787
H -5.544560 1.537426 -1.797398
H 6.660762 1.243029 0.432962
H 5.324129 1.330197 -0.712756
H 6.879762 0.646169 -1.214666
H 6.529272 -2.512219 0.912562
H 7.690604 -1.551356 -0.004838
H 7.197039 -1.023477 1.601888


%chk=000212391-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000212391

0 1
O 3.670780 -0.640704 0.532958
O 3.368743 1.677948 0.204088
N -1.186949 -0.316419 -0.018270
N 1.640750 0.147587 -0.211794
N -4.984507 -0.083422 0.308803
C -0.218363 -1.314792 0.502807
C -0.635325 1.055998 0.125167
C 1.116259 -1.230971 -0.264218
C 0.690395 1.188835 -0.647502
C -2.532018 -0.470964 0.591789
C -3.634553 0.289268 -0.183184
C 2.917428 0.498950 0.169860
C -5.500141 -1.327946 -0.315260
C -5.948287 1.044261 0.360009
C 5.081487 -0.398843 0.933131
C 6.049854 -0.977514 -0.116413
C -6.691364 -1.943317 0.442606
C -6.413726 1.620537 -1.006745
C 5.886906 -0.277874 -1.484189
C 7.498201 -0.851171 0.415511
H -0.018355 -1.165727 1.595154
H -0.646702 -2.325684 0.370324
H -1.355623 1.784073 -0.287239
H -0.462489 1.315020 1.201583
H 0.938183 -1.511220 -1.322617
H 1.860693 -1.914879 0.167221
H 1.154973 2.172879 -0.475834
H 0.489331 1.068108 -1.731192
H -2.778594 -1.549465 0.583686
H -2.556882 -0.144002 1.660787
H -3.508286 1.378941 -0.040371
H -3.497040 0.087643 -1.272180
H -4.671426 -2.061007 -0.319235
H -5.779780 -1.173665 -1.388491
H -5.477047 1.851743 0.952863
H -6.833923 0.718183 0.936399
H 5.198984 -0.909834 1.905463
H 5.231209 0.689770 1.056244
H 5.811546 -2.054030 -0.239013
H -6.955128 -2.924017 0.005486
H -7.592115 -1.305496 0.392088
H -6.431435 -2.089532 1.506004
H -7.099341 2.473671 -0.846682
H -6.952978 0.864480 -1.605856
H -5.556614 1.982304 -1.604439
H 6.090347 0.805820 -1.396952
H 4.860433 -0.398426 -1.873437
H 6.586291 -0.703501 -2.227166
H 7.624219 -1.362791 1.388545
H 8.214058 -1.298534 -0.297466
H 7.777218 0.211628 0.549070


