%chk=000267109.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000267109

0 1
O -2.024757 -2.659749 -1.055910
O -3.861475 -2.769445 0.069847
O 4.756858 -1.818531 1.481034
O 5.469869 -1.415771 -0.520398
N -2.869368 -2.157752 -0.332297
N -4.771229 -0.695771 1.392097
N 4.649574 -1.307221 0.377573
C -0.068558 1.932341 -0.613704
C -1.306758 1.231745 -0.057695
C 1.168012 1.050931 -0.391546
C -0.339024 2.204814 -2.105077
C 0.236166 3.266467 0.094973
C -1.550175 -0.089863 -0.388512
C -2.254748 1.911820 0.752039
C 1.345582 0.425954 0.857919
C 2.150652 0.892805 -1.380539
C -2.703379 -0.775306 0.073782
C -3.382454 1.278715 1.222539
C -3.642571 -0.093089 0.900625
C 2.474214 -0.346639 1.115467
C 3.287117 0.120668 -1.138049
C 3.445520 -0.494974 0.111734
H 0.454033 2.803619 -2.565895
H -0.436519 1.275846 -2.679329
H -1.276703 2.759439 -2.235883
H 1.172899 3.702581 -0.275928
H -0.549273 4.009472 -0.081055
H 0.349859 3.138958 1.177496
H -0.846386 -0.649812 -1.021773
H -2.090746 2.962510 1.007511
H 0.588089 0.543093 1.635444
H 2.040666 1.372900 -2.353858
H -4.093204 1.818747 1.844967
H 2.614722 -0.837851 2.084519
H 4.054374 -0.008810 -1.909388
H -5.423291 -0.194351 1.969194
H -4.986188 -1.672889 1.176474


%chk=000267109-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000267109

0 1
O -2.074971 -2.654142 -1.233982
O -4.007859 -2.794053 -0.038746
O 4.898718 -1.720017 1.607242
O 5.517943 -1.526348 -0.579623
N -2.947897 -2.130344 -0.438577
N -4.842837 -0.735479 1.367705
N 4.710431 -1.294102 0.401943
C -0.059021 1.948055 -0.606934
C -1.313506 1.237550 -0.039471
C 1.188353 1.056967 -0.387256
C -0.320723 2.244223 -2.113064
C 0.220032 3.307244 0.104460
C -1.593985 -0.084644 -0.420633
C -2.250442 1.879697 0.825364
C 1.455468 0.552072 0.916976
C 2.111060 0.758741 -1.423008
C -2.755797 -0.761204 0.028401
C -3.400724 1.227214 1.281364
C -3.705333 -0.119929 0.903454
C 2.600043 -0.215440 1.188335
C 3.265057 -0.012468 -1.175171
C 3.497326 -0.487705 0.131047
H 0.504899 2.828268 -2.559439
H -0.453926 1.316570 -2.697431
H -1.245711 2.838373 -2.214673
H 1.153571 3.746012 -0.289016
H -0.595004 4.029408 -0.084753
H 0.339677 3.186705 1.195851
H -0.915260 -0.642767 -1.072874
H -2.075515 2.909097 1.152497
H 0.744677 0.753863 1.725792
H 1.935158 1.122088 -2.438866
H -4.096708 1.750364 1.947610
H 2.810856 -0.607418 2.186692
H 3.979329 -0.251040 -1.967723
H -5.481023 -0.236867 1.983516
H -5.014956 -1.702945 1.071391


