%chk=000206511.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000206511

0 1
O -1.805602 1.037001 -3.238818
O 0.823165 0.052490 -2.889293
N -3.533056 -0.278390 -0.413597
N -1.090609 -0.582888 -1.735339
N 2.515435 -1.267481 -1.078247
C -3.502290 0.033369 -1.873574
C -4.769943 -1.044094 -0.043257
C -3.395623 0.982605 0.394787
C -2.065028 0.250646 -2.361644
C -4.682171 -2.478483 -0.563274
C -2.965045 0.641894 1.820641
C 1.084125 -1.620469 -1.171067
C 0.301428 -0.612143 -2.029085
C 2.919128 -0.365728 -0.044005
C 2.274926 -0.338036 1.208223
C 4.071253 0.423718 -0.258862
C 2.788408 0.461900 2.230644
C 4.568224 1.212165 0.776614
C 3.931684 1.237894 2.023565
H -4.101824 0.927449 -2.161975
H -3.928894 -0.817945 -2.456653
H -4.837010 -1.061947 1.069369
H -5.700761 -0.558351 -0.408262
H -2.613862 1.620119 -0.078921
H -4.328257 1.587117 0.407975
H -5.521004 -3.079359 -0.193313
H -3.754924 -2.964783 -0.233913
H -4.700891 -2.525192 -1.658502
H -2.729375 1.552840 2.383431
H -2.068959 0.008034 1.825346
H -3.744414 0.102411 2.371375
H -1.435763 -1.151972 -0.943845
H 0.646812 -1.744396 -0.153961
H 1.015797 -2.624695 -1.660001
H 2.891370 -1.020954 -2.006195
H 1.391253 -0.944841 1.386239
H 4.570972 0.417231 -1.224652
H 2.290497 0.478541 3.199636
H 5.458951 1.818382 0.611169
H 4.324878 1.858640 2.823641


%chk=000206511-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000206511

0 1
O -2.329575 0.334115 -3.980868
O 0.517536 0.454814 -2.982411
N -3.817181 -0.384887 -0.687314
N -1.450778 -0.116352 -1.811522
N 2.087180 0.135988 -0.812925
C -3.836366 -0.394883 -2.174856
C -4.670843 -1.449523 -0.074897
C -4.109020 0.986573 -0.153664
C -2.465868 -0.000547 -2.782712
C -4.068741 -2.858994 -0.217168
C -3.599758 1.203996 1.281949
C 0.684051 -0.132908 -0.606556
C -0.072473 0.100384 -1.931551
C 3.058012 0.031066 0.181849
C 2.732370 -0.367772 1.513146
C 4.420721 0.329827 -0.124949
C 3.742126 -0.460620 2.495658
C 5.414597 0.231734 0.866172
C 5.088619 -0.163890 2.187655
H -4.602332 0.277994 -2.613752
H -4.059591 -1.414737 -2.538795
H -4.772254 -1.214764 0.998976
H -5.699829 -1.426499 -0.505726
H -3.606983 1.710242 -0.823204
H -5.201632 1.204272 -0.210966
H -4.725644 -3.602372 0.269905
H -3.074957 -2.907544 0.261773
H -3.954731 -3.163188 -1.273428
H -3.790778 2.246273 1.595138
H -2.511594 1.021104 1.343604
H -4.099044 0.542810 2.011913
H -1.882787 -0.384106 -0.896697
H 0.238324 0.525836 0.175645
H 0.497458 -1.180790 -0.274209
H 2.340193 0.417526 -1.764507
H 1.697592 -0.605759 1.782142
H 4.687355 0.637980 -1.143644
H 3.469921 -0.768692 3.512302
H 6.453542 0.466186 0.606068
H 5.866166 -0.237596 2.954826


