%chk=000298533.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000298533

0 1
O -0.481835 -0.000891 -2.452821
O -5.091224 -0.002423 1.209056
O -5.167478 -0.002882 -0.952508
N 3.280278 1.210593 -0.087804
N 3.281264 -1.207748 -0.087611
N -4.565933 -0.002378 0.107582
C 1.187374 0.000584 -0.057000
C 1.919172 1.214695 -0.064221
C 1.920382 -1.213023 -0.064024
C -0.280263 -0.000145 -0.007726
C 1.255122 2.565655 -0.063896
C 1.257359 -2.564507 -0.063509
C -1.041436 -0.000854 -1.202084
C -0.961439 -0.000161 1.216514
C 3.928789 0.001840 -0.089858
C 0.977371 3.032152 1.363205
C 0.979482 -3.030811 1.363626
C -2.443710 -0.001592 -1.184798
C -2.357766 -0.000884 1.260157
C -3.079624 -0.001597 0.059325
C 5.416686 0.001881 -0.116245
H 1.910662 3.308402 -0.575324
H 0.313033 2.535707 -0.650167
H 0.315444 -2.535436 -0.650105
H 1.913630 -3.306903 -0.574506
H -0.389795 0.000400 2.147438
H 0.285868 2.361694 1.886313
H 0.530374 4.034207 1.365963
H 1.902961 3.086369 1.952523
H 1.904914 -3.084258 1.953249
H 0.533149 -4.033164 1.366507
H 0.287357 -2.360683 1.886342
H -3.011384 -0.002137 -2.121928
H -2.889691 -0.000900 2.216943
H 5.834548 -0.862228 0.425976
H 5.787378 -0.060395 -1.153162
H 5.834860 0.922642 0.322616
H 0.513220 -0.000224 -2.413840


%chk=000298533-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000298533

0 1
O -0.461393 0.000581 -2.477179
O -5.259010 -0.003666 1.153093
O -5.272488 -0.003074 -1.127800
N 3.250626 1.214214 -0.069058
N 3.251811 -1.210255 -0.069123
N -4.660059 -0.003070 0.008499
C 1.134205 0.000725 -0.057109
C 1.880376 1.222186 -0.070057
C 1.882224 -1.220150 -0.070046
C -0.360855 -0.000253 -0.012971
C 1.227481 2.588354 -0.046781
C 1.230425 -2.586906 -0.046904
C -1.100900 -0.000325 -1.234547
C -1.079141 -0.001023 1.209534
C 3.886458 0.002526 -0.060910
C 1.189929 3.171711 1.392283
C 1.191118 -3.169497 1.392416
C -2.509337 -0.001297 -1.238983
C -2.486679 -0.001950 1.235663
C -3.175446 -0.002099 0.001834
C 5.392729 0.001638 -0.073408
H 1.823208 3.261295 -0.688698
H 0.201774 2.536113 -0.452731
H 0.205262 -2.535746 -0.454389
H 1.827635 -3.259761 -0.687519
H -0.518650 -0.000845 2.150508
H 0.563706 2.552291 2.059445
H 0.769008 4.192381 1.380215
H 2.209425 3.219790 1.812668
H 2.210022 -3.216778 1.814334
H 0.770833 -4.190428 1.380279
H 0.563543 -2.550150 2.058365
H -3.068370 -0.001364 -2.177120
H -3.050534 -0.002540 2.170935
H 5.781648 -0.870722 0.475285
H 5.763285 -0.069921 -1.113932
H 5.780572 0.936854 0.358742
H 0.524664 0.001756 -2.354635


