%chk=000246821.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000246821

0 1
O 3.511863 1.676975 -0.207644
O 0.978598 -0.877167 -1.508699
O 1.464792 0.656004 2.858899
O -3.245868 -0.739286 -1.835934
N 0.860096 -0.137147 0.713092
N -0.486813 0.035741 0.939045
C 3.025613 -0.608156 -0.184990
C 3.180055 -0.092004 1.283545
C 3.826178 0.471251 -0.991936
C 4.043427 1.200374 1.080164
C 1.533566 -0.574018 -0.483297
C 1.773493 0.221920 1.787378
C 5.301558 0.278468 -0.619308
C 5.433931 0.722681 0.642790
C -1.369339 -0.175534 0.001171
C -2.789780 0.024420 0.326597
C -3.775314 -0.273438 -0.654523
C -3.227768 0.503884 1.569181
C -5.140879 -0.098446 -0.402728
C -4.590476 0.681719 1.830501
C -5.537638 0.381899 0.849186
C -4.156620 -1.058693 -2.916196
H 3.426089 -1.628627 -0.341674
H 3.670593 -0.820008 1.958606
H 3.543984 0.641766 -2.031893
H 3.947982 1.997716 1.818936
H 6.022698 -0.135324 -1.295132
H 6.292914 0.771515 1.281456
H -1.166353 -0.498960 -1.040335
H -2.487570 0.741204 2.341302
H -5.887405 -0.327218 -1.155273
H -4.908437 1.055220 2.801336
H -6.598959 0.522318 1.056501
H -4.705196 -0.165285 -3.227481
H -4.826155 -1.871220 -2.620536
H -3.460357 -1.386847 -3.700207


%chk=000246821-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000246821

0 1
O 3.399133 1.677727 -0.260860
O 1.014040 -1.051834 -1.469606
O 1.470307 0.645741 2.914910
O -3.254890 -0.730341 -1.904851
N 0.889268 -0.179224 0.750302
N -0.474951 0.025354 0.992620
C 3.066623 -0.657884 -0.126181
C 3.219578 -0.082586 1.312434
C 3.807262 0.441331 -0.997928
C 4.016508 1.262654 1.037382
C 1.563953 -0.676322 -0.405251
C 1.799422 0.187165 1.805536
C 5.297224 0.337357 -0.653031
C 5.426651 0.845305 0.604318
C -1.354518 -0.237555 0.040274
C -2.775294 -0.011651 0.332853
C -3.754014 -0.268906 -0.680370
C -3.216919 0.460114 1.599070
C -5.130078 -0.056589 -0.421627
C -4.583396 0.671349 1.860167
C -5.537183 0.411665 0.846661
C -4.207346 -1.001611 -2.984420
H 3.487582 -1.663193 -0.281963
H 3.747077 -0.731963 2.027851
H 3.500329 0.500580 -2.048494
H 3.894806 2.049745 1.790287
H 6.057852 -0.119450 -1.287861
H 6.317100 0.897953 1.232493
H -1.091699 -0.612524 -0.955367
H -2.454325 0.653030 2.360328
H -5.880981 -0.250718 -1.192599
H -4.907207 1.034710 2.840606
H -6.603341 0.573711 1.041266
H -4.762301 -0.086973 -3.268643
H -4.920181 -1.799122 -2.699467
H -3.589589 -1.339348 -3.828937


