%chk=000291283.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000291283

0 1
O -1.001856 1.632274 0.375807
O 2.906409 1.394197 -0.080825
O -3.979928 -0.759571 2.939705
N -5.067776 -0.835313 0.902555
N 7.344105 -0.542817 -3.246912
C 1.075337 2.677482 0.607607
C -0.008818 2.357536 -0.416884
C 1.898581 1.450296 0.983026
C -2.115699 1.141421 -0.258769
C -2.967114 0.440767 0.616255
C -4.140519 -0.107471 0.095838
C 3.777950 0.336592 -0.099218
C -2.406048 1.303330 -1.619785
C -4.460999 0.041450 -1.277832
C -3.591265 0.741234 -2.108481
C 4.694484 0.404270 -1.170142
C 3.799014 -0.719754 0.822764
C 5.636584 -0.617719 -1.295524
C 4.756628 -1.726665 0.665918
C 5.676884 -1.688040 -0.383111
C -4.934516 -1.119829 2.285834
C -6.087081 -1.906164 2.847271
C 6.582961 -0.575327 -2.377631
H 1.745702 3.467701 0.203163
H 0.606226 3.098913 1.524154
H -0.484196 3.264830 -0.825990
H 0.351334 1.702004 -1.229231
H 2.424294 1.569068 1.945036
H 1.303487 0.519295 0.970837
H -2.696689 0.341543 1.672557
H -1.747136 1.842006 -2.287984
H -5.371864 -0.383509 -1.684703
H -3.836110 0.855996 -3.166003
H 4.650338 1.239385 -1.867354
H 3.091296 -0.771013 1.644636
H -5.899669 -1.177750 0.416282
H 4.782756 -2.555082 1.376210
H 6.418491 -2.476414 -0.496714
H -6.200113 -2.888987 2.371076
H -5.920930 -2.091429 3.922807
H -7.043235 -1.373035 2.762656


%chk=000291283-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000291283

0 1
O -0.869314 1.848841 0.458891
O 2.728302 1.480730 -0.186368
O -3.704845 -1.133821 2.873450
N -4.767840 -1.038188 0.779975
N 6.269860 -1.810236 -3.576379
C 1.162418 3.119243 0.639839
C 0.020271 2.741423 -0.306999
C 2.022304 1.919345 1.039106
C -1.990230 1.310361 -0.193542
C -2.773185 0.443750 0.605668
C -3.926269 -0.152385 0.047259
C 3.552890 0.355229 -0.104496
C -2.338031 1.594578 -1.537110
C -4.290911 0.122128 -1.302743
C -3.496791 0.987880 -2.074676
C 4.200971 -0.006802 -1.309379
C 3.763478 -0.403873 1.075570
C 5.060539 -1.131445 -1.333028
C 4.624453 -1.524813 1.035716
C 5.277562 -1.900336 -0.153279
C -4.642819 -1.483134 2.099867
C -5.757923 -2.438214 2.531081
C 5.719709 -1.499949 -2.560696
H 1.799601 3.880267 0.152210
H 0.736867 3.568681 1.556425
H -0.539317 3.643053 -0.627582
H 0.409015 2.213177 -1.199437
H 2.767977 2.202715 1.808433
H 1.386158 1.097625 1.420135
H -2.486440 0.241011 1.638219
H -1.735370 2.262844 -2.157406
H -5.185366 -0.340350 -1.738227
H -3.778862 1.196607 -3.112388
H 4.027511 0.589788 -2.209161
H 3.267594 -0.138161 2.012934
H -5.572038 -1.398176 0.260411
H 4.782314 -2.109487 1.947982
H 5.942775 -2.767731 -0.182132
H -5.780725 -3.344020 1.896905
H -5.575617 -2.740815 3.572046
H -6.749371 -1.951640 2.471803


