%chk=000202466.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000202466

1 1
O -0.366462 2.318019 -0.918252
N 3.360290 -1.229909 -0.367173
N 1.850203 1.161330 0.415446
C 3.027083 -0.879209 1.086429
C 2.381471 -0.516678 -1.303541
C 2.935632 0.640289 1.302386
C 2.261220 0.987786 -1.008623
C 1.436092 2.560934 0.792746
C 4.783910 -0.838178 -0.691547
C 3.211072 -2.725230 -0.555932
C 0.553979 3.233817 -0.288535
C 0.683752 2.481716 2.124458
C -1.586288 2.062071 -0.297964
C -2.187012 0.841403 -0.678709
C -2.217029 2.959531 0.569831
C -1.510162 -0.101940 -1.631962
C -3.451887 0.545853 -0.155817
C -3.478827 2.633647 1.075168
C -1.054096 -1.386210 -0.991733
C -4.092921 1.430484 0.717686
C -1.001365 -2.561330 -1.759985
C -0.653398 -1.428956 0.354002
C -0.575521 -3.761260 -1.184726
C -0.239781 -2.633336 0.928035
C -0.196252 -3.802240 0.160805
H 3.780404 -1.329618 1.767699
H 2.032220 -1.335599 1.338202
H 1.366055 -0.983719 -1.170921
H 2.680402 -0.682919 -2.360823
H 2.650315 0.827319 2.369203
H 3.920829 1.133010 1.155516
H 3.187021 1.533406 -1.285745
H 1.439237 1.384560 -1.665786
H 2.336917 3.224163 0.923087
H 5.510076 -1.347945 -0.031697
H 5.051682 -1.095822 -1.733244
H 4.941518 0.250696 -0.574424
H 3.447637 -3.034872 -1.590397
H 3.875048 -3.294946 0.118524
H 2.168485 -3.058535 -0.351399
H 0.014640 4.104655 0.131325
H 1.146918 3.574279 -1.160047
H 1.304935 2.085547 2.936325
H -0.200309 1.829020 2.046510
H 0.329172 3.469129 2.446116
H -1.747478 3.903652 0.834658
H -0.634542 0.402463 -2.102556
H -2.205049 -0.313665 -2.477448
H -3.940387 -0.390536 -0.432221
H -3.986292 3.326941 1.747454
H -5.077143 1.181953 1.113870
H -1.322250 -2.548954 -2.801679
H -0.686699 -0.516487 0.954348
H -0.564300 -4.673950 -1.781896
H 0.012529 -2.670497 1.987252
H 0.091802 -4.747733 0.617697


%chk=000202466-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000202466

1 1
O -0.473070 1.958656 -0.686185
N 3.650218 -1.278977 -0.269848
N 2.093275 1.119210 0.457331
C 3.526872 -0.749096 1.177652
C 2.437300 -0.761036 -1.084395
C 3.300165 0.768981 1.219919
C 2.247515 0.756111 -0.962522
C 1.488401 2.443463 0.814430
C 4.964094 -0.834523 -0.900726
C 3.608816 -2.803736 -0.244243
C 0.523988 2.958289 -0.280747
C 0.798363 2.355401 2.193905
C -1.800101 1.964040 -0.188830
C -2.621049 0.915975 -0.695666
C -2.312554 2.923914 0.713336
C -2.080464 -0.104069 -1.683939
C -3.965355 0.861383 -0.259312
C -3.661636 2.842524 1.126993
C -1.363795 -1.319976 -1.078857
C -4.493916 1.809943 0.645285
C -0.937789 -2.368435 -1.941067
C -1.142719 -1.465556 0.313521
C -0.324208 -3.533093 -1.428095
C -0.527287 -2.630006 0.833996
C -0.118209 -3.671629 -0.032574
H 4.445883 -1.047349 1.711825
H 2.652010 -1.259794 1.613193
H 1.548513 -1.269875 -0.677529
H 2.598276 -1.072981 -2.130902
H 3.166954 1.034743 2.282348
H 4.212368 1.319437 0.872772
H 3.072688 1.309839 -1.478574
H 1.310017 0.974136 -1.498138
H 2.288426 3.226801 0.869602
H 5.799293 -1.239162 -0.308037
H 5.012388 -1.224224 -1.929216
H 5.020628 0.261564 -0.920057
H 3.732453 -3.181598 -1.271235
H 4.426523 -3.175794 0.393243
H 2.633291 -3.126927 0.150078
H 0.054431 3.895903 0.064457
H 1.078530 3.190504 -1.207398
H 1.493924 2.026791 2.985995
H -0.044150 1.646152 2.159239
H 0.417315 3.347099 2.496843
H -1.688924 3.732660 1.104526
H -1.386173 0.397204 -2.385294
H -2.921089 -0.480589 -2.297971
H -4.608171 0.060767 -0.644161
H -4.054805 3.590147 1.823969
H -5.539146 1.746690 0.962565
H -1.120238 -2.284546 -3.020092
H -1.480456 -0.677841 0.994937
H -0.040661 -4.344047 -2.108727
H -0.406223 -2.738714 1.918324
H 0.306365 -4.597352 0.374050


