%chk=000243514.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000243514

0 1
O -5.525103 -1.983285 -0.679358
O 4.185188 2.624164 0.176760
N 0.463222 1.200698 -0.005796
N 1.236849 -1.039214 -0.091823
N 3.654150 -1.554412 -0.049583
N 5.238658 0.152023 0.056876
N 3.064967 2.173477 0.126535
N 2.028516 -3.251626 -0.182866
C -3.717003 0.504103 -0.062846
C -5.202802 0.283273 -0.104670
C -0.945262 0.899853 -0.025216
C -3.172044 1.598353 0.624406
C -2.861991 -0.387632 -0.730130
C -1.792246 1.801640 0.648612
C -1.481346 -0.197080 -0.719323
C -5.607195 -1.084593 0.450549
C 1.507799 0.300712 -0.021839
C 2.874371 0.796908 0.041045
C 3.922101 -0.204983 0.014680
C 2.318683 -1.911609 -0.101441
H -5.550452 0.347447 -1.164155
H -5.746096 1.082299 0.436401
H -3.823155 2.297681 1.146866
H -3.295913 -1.241535 -1.260566
H -1.382473 2.650708 1.192704
H -0.828189 -0.899127 -1.242352
H 0.704181 2.198068 0.092886
H -6.649480 -1.086277 0.815921
H -4.926817 -1.438316 1.244538
H -5.669058 -2.902697 -0.390183
H 5.965089 -0.548699 0.042332
H 5.506569 1.137692 0.112141
H 1.071306 -3.567416 -0.177619
H 2.768575 -3.935498 -0.157184


%chk=000243514-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000243514

0 1
O -5.584305 -2.058261 0.122046
O 4.019754 2.588100 0.930695
N 0.463164 0.905577 0.199464
N 1.421519 -1.202554 -0.401277
N 3.882823 -1.470872 -0.345000
N 5.250273 0.332320 0.297853
N 2.854240 2.006691 0.681983
N 2.463169 -3.203726 -0.969344
C -3.766215 0.431990 -0.228768
C -5.275759 0.302872 -0.370229
C -0.929604 0.686510 0.042366
C -3.179357 1.655818 0.184289
C -2.899844 -0.659284 -0.502762
C -1.783953 1.787962 0.320317
C -1.501335 -0.546835 -0.371772
C -5.925745 -0.703162 0.597653
C 1.544221 0.087616 0.008299
C 2.855079 0.686660 0.271256
C 4.010972 -0.176019 0.067681
C 2.597858 -1.905762 -0.554604
H -5.547802 -0.016107 -1.395584
H -5.749667 1.289228 -0.204352
H -3.820666 2.519269 0.399568
H -3.341203 -1.611363 -0.812550
H -1.353069 2.745920 0.638282
H -0.841154 -1.388471 -0.584040
H 0.759406 1.846742 0.509150
H -7.028002 -0.564109 0.586358
H -5.552399 -0.538598 1.630224
H -5.883712 -2.727934 0.786302
H 6.065545 -0.264150 0.156737
H 5.278135 1.324136 0.609362
H 1.532912 -3.576126 -1.142250
H 3.298321 -3.768977 -1.101051


