%chk=000225245.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000225245

0 1
O -0.206744 1.665786 1.163511
O -4.006621 0.129864 2.488327
O 3.006880 3.657183 -1.497972
O -2.557254 2.933959 -0.893891
N 1.483310 -0.913375 0.972559
N -2.617905 -2.159216 0.944676
N 3.488776 -0.923498 -0.138453
N -1.558968 -1.758370 -1.047157
N 3.387210 1.470376 -0.899481
N -2.074136 0.699339 -1.142490
N 1.365810 2.653612 -0.202569
N -3.342115 1.528432 0.776795
C 0.966939 -3.896734 -0.704870
C 2.408881 -4.034350 -0.208788
C -0.073429 -4.390121 0.307506
C 2.765320 -3.100339 0.959453
C -1.510650 -4.146260 -0.185346
C 2.593684 -1.667686 0.595020
C -1.888169 -2.708387 -0.111523
C 1.670105 0.377535 0.446938
C -2.766137 -0.788233 0.666526
C 2.913261 0.340666 -0.240099
C -2.103944 -0.566216 -0.569205
C 0.835524 1.548934 0.548813
C -3.420513 0.250214 1.431489
C 2.609235 2.673652 -0.902924
C -2.638972 1.810398 -0.430053
C 4.703145 1.442926 -1.582570
C -1.308484 0.942191 -2.388581
C 0.560396 3.907499 -0.226141
C -3.879524 2.712942 1.502886
H 0.758883 -2.841027 -0.985364
H 0.856877 -4.459895 -1.654376
H 2.612513 -5.080169 0.094430
H 3.099139 -3.824938 -1.055650
H 0.065585 -5.475114 0.487867
H 0.079205 -3.900581 1.287609
H 3.830551 -3.270510 1.248049
H 2.167678 -3.357924 1.857835
H -2.221994 -4.774162 0.390117
H -1.607442 -4.487934 -1.244593
H 0.659233 -1.199092 1.472481
H -3.009407 -2.610906 1.753127
H 4.857074 2.380870 -2.150340
H 4.751608 0.587485 -2.280201
H 5.516644 1.335760 -0.843384
H -1.554962 1.942563 -2.793885
H -1.565456 0.175996 -3.142332
H -0.221902 0.895069 -2.198053
H -0.489574 3.676940 -0.505348
H 0.971653 4.626285 -0.957252
H 0.555820 4.376948 0.771654
H -4.654791 2.388473 2.221541
H -4.322548 3.429623 0.789183
H -3.073502 3.222813 2.059596


%chk=000225245-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000225245

0 1
O -0.112287 2.099315 1.623018
O -3.710494 -0.070924 2.502725
O 2.828867 3.606837 -1.756508
O -2.397587 2.929742 -0.902156
N 1.396369 -0.613536 1.376747
N -2.492130 -2.271669 0.690519
N 3.112928 -0.904253 -0.082897
N -1.535043 -1.796798 -1.315696
N 3.067296 1.396054 -1.020854
N -1.945889 0.654067 -1.237613
N 1.362617 2.835554 -0.078510
N -3.062354 1.423822 0.768560
C 1.114574 -3.917634 -0.650635
C 2.444715 -3.927008 0.140256
C -0.079112 -4.541693 0.111039
C 2.480891 -2.923178 1.328730
C -1.454751 -4.229854 -0.559029
C 2.343875 -1.497454 0.876185
C -1.840786 -2.786319 -0.426347
C 1.558625 0.606569 0.713334
C -2.612430 -0.888866 0.514765
C 2.620104 0.391990 -0.176148
C -2.015275 -0.630822 -0.725367
C 0.853041 1.852188 0.832177
C -3.178091 0.123574 1.365663
C 2.444596 2.671833 -0.998336
C -2.464740 1.737830 -0.482248
C 4.191981 1.149514 -1.944337
C -1.308182 0.909981 -2.542975
C 0.680820 4.155704 -0.057529
C -3.488660 2.589338 1.576826
H 0.869562 -2.879194 -0.944871
H 1.255744 -4.473291 -1.598785
H 2.650244 -4.943060 0.532311
H 3.273921 -3.665387 -0.542259
H 0.047169 -5.641115 0.161683
H -0.103791 -4.181004 1.159334
H 3.445099 -3.040846 1.860046
H 1.685348 -3.154132 2.062749
H -2.240178 -4.869881 -0.113009
H -1.400144 -4.473044 -1.634557
H 0.695850 -0.794284 2.096095
H -2.859109 -2.787153 1.490592
H 4.350474 2.067548 -2.528063
H 3.951821 0.306181 -2.613142
H 5.102762 0.899279 -1.374663
H -1.447788 1.974520 -2.780083
H -1.773520 0.278478 -3.317376
H -0.230523 0.674114 -2.496274
H -0.373374 4.032246 -0.358131
H 1.207706 4.817695 -0.758055
H 0.713506 4.568075 0.964366
H -4.019042 2.201545 2.458650
H -4.143763 3.240989 0.978300
H -2.595664 3.157111 1.886886


