%chk=000268229.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000268229

0 1
O -0.473175 1.276404 2.787286
O -0.450057 -2.915914 1.036876
O -2.820806 2.361154 0.229464
O -2.879446 -1.858120 -1.441861
N -0.589502 -0.819497 1.910951
N -2.867403 0.202793 -0.483502
C -0.006117 0.251368 -0.661511
C -0.724400 1.154682 0.380040
C -0.746096 -1.119212 -0.564739
C -0.129225 0.822386 -2.096770
C 1.478149 0.074747 -0.346288
C -0.585469 0.598626 1.795752
C -0.579255 -1.736892 0.821886
C -2.202254 1.340308 0.058683
C -2.232889 -1.007599 -0.881928
C 0.445271 2.226124 -2.244914
C 2.184067 1.018388 0.413296
C 2.169358 -1.030942 -0.869240
C 3.549410 0.848086 0.663981
C 3.532706 -1.199418 -0.617818
C 4.227223 -0.261173 0.152398
H -0.255488 2.182021 0.374377
H -0.304435 -1.844710 -1.307465
H -1.184587 0.826102 -2.433847
H 0.396564 0.138383 -2.797337
H -0.488393 -1.215113 2.860905
H -3.879793 0.291344 -0.672719
H -0.116725 2.971011 -1.668822
H 1.495167 2.277005 -1.926800
H 0.415164 2.549212 -3.294398
H 1.684677 1.898753 0.819715
H 1.648496 -1.772529 -1.476057
H 4.083734 1.585684 1.263256
H 4.055076 -2.066394 -1.022613
H 5.289654 -0.394966 0.351664


%chk=000268229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000268229

0 1
O -0.537836 1.339337 2.833325
O -0.517578 -2.957935 1.089216
O -2.851685 2.417202 0.240067
O -2.923028 -1.896634 -1.442859
N -0.628238 -0.792304 1.919399
N -2.870692 0.205976 -0.462878
C -0.007672 0.247889 -0.654122
C -0.729427 1.170990 0.378385
C -0.760270 -1.124691 -0.546147
C -0.134230 0.803693 -2.115934
C 1.493918 0.069606 -0.321691
C -0.618005 0.614065 1.813802
C -0.617764 -1.730035 0.863675
C -2.222720 1.349160 0.051700
C -2.259738 -0.999239 -0.871372
C 0.462611 2.210486 -2.331102
C 2.200177 0.962815 0.524668
C 2.223697 -0.979975 -0.941020
C 3.585864 0.804360 0.754066
C 3.606528 -1.141003 -0.713940
C 4.296454 -0.248060 0.137612
H -0.312960 2.188244 0.410729
H -0.368829 -1.878599 -1.245343
H -1.197374 0.811802 -2.426493
H 0.377499 0.085577 -2.785164
H -0.540633 -1.176275 2.868993
H -3.874803 0.300276 -0.662845
H -0.084730 2.985232 -1.764141
H 1.525393 2.249904 -2.035164
H 0.399061 2.484715 -3.398990
H 1.687955 1.793143 1.020675
H 1.719780 -1.687108 -1.609926
H 4.105737 1.505347 1.416055
H 4.143065 -1.963735 -1.198844
H 5.369676 -0.372122 0.317508


