%chk=000271769.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000271769

0 1
O 3.813617 1.505376 -0.192042
O -4.513545 1.558689 -0.266304
N 3.247677 0.174928 -1.930049
N 3.707568 1.119014 -2.891133
C 1.127566 -0.873964 -0.033643
C 0.133019 0.312498 0.200515
C 2.592259 -0.550514 0.391913
C 0.255640 0.839822 1.653743
C 2.639027 -0.000295 1.834401
C 0.607234 -2.126509 0.697784
C 1.695479 1.188841 2.032133
C -1.324666 -0.138616 0.016362
C 0.421010 1.441715 -0.806723
C -0.696021 -2.603436 0.053856
C -1.706286 -1.496402 -0.044775
C 3.504900 -1.788248 0.295720
C 3.236356 0.490960 -0.552836
C -2.319661 0.841982 -0.054495
C -3.055186 -1.842413 -0.204270
C -3.666308 0.469895 -0.209770
C -4.054687 -0.871081 -0.292009
C -5.928560 1.302665 -0.426479
H 1.124138 -1.102740 -1.128143
H -0.142591 0.077238 2.352046
H -0.390329 1.729056 1.783820
H 3.675698 0.311701 2.077974
H 2.382503 -0.809997 2.542798
H 0.442362 -1.899535 1.769857
H 1.351176 -2.944425 0.672308
H 2.056377 2.049351 1.428239
H 1.736066 1.526781 3.085066
H 1.355487 1.968026 -0.579512
H 0.464993 1.073136 -1.835667
H -0.359087 2.215261 -0.783877
H -1.107634 -3.452043 0.637754
H -0.497462 -3.007542 -0.961443
H 3.462875 -2.261287 -0.691559
H 4.553808 -1.525650 0.486786
H 3.229176 -2.550487 1.034816
H -2.074862 1.902927 0.001757
H -3.338347 -2.893866 -0.259452
H 2.577926 -0.480693 -2.341329
H -5.090434 -1.162497 -0.416373
H 4.735351 1.053809 -2.934835
H 3.513718 2.080359 -2.568374
H -6.117899 0.791802 -1.374729
H -6.340957 2.319973 -0.439160
H -6.311582 0.735537 0.426535


%chk=000271769-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000271769

0 1
O 3.955732 1.522435 -0.170575
O -4.638183 1.588731 -0.148344
N 3.323416 0.140463 -1.904418
N 3.977143 0.917505 -2.901003
C 1.135062 -0.850518 -0.039532
C 0.120479 0.344279 0.182724
C 2.621381 -0.516476 0.405547
C 0.249713 0.889487 1.647928
C 2.648492 0.063806 1.847183
C 0.599614 -2.149375 0.618355
C 1.693776 1.258701 2.043797
C -1.351328 -0.122679 -0.009265
C 0.413210 1.489300 -0.834649
C -0.687275 -2.602803 -0.093358
C -1.727532 -1.494642 -0.132435
C 3.533429 -1.788319 0.371612
C 3.327131 0.488435 -0.556819
C -2.376956 0.853423 -0.014682
C -3.094452 -1.827057 -0.276827
C -3.738042 0.505790 -0.159539
C -4.112972 -0.851430 -0.299997
C -6.060675 1.278975 -0.292773
H 1.147249 -1.056440 -1.133755
H -0.140125 0.125415 2.350530
H -0.413571 1.769234 1.755539
H 3.682906 0.368777 2.088524
H 2.369168 -0.748736 2.548742
H 0.396548 -1.987863 1.694101
H 1.346365 -2.958405 0.545398
H 2.061019 2.117983 1.455004
H 1.711842 1.572358 3.105827
H 1.416281 1.922452 -0.694737
H 0.333302 1.118803 -1.873184
H -0.308188 2.315997 -0.719573
H -1.110247 -3.495503 0.406461
H -0.430062 -2.919578 -1.127130
H 3.419886 -2.367137 -0.564172
H 4.594528 -1.491632 0.460731
H 3.306931 -2.457287 1.219711
H -2.150728 1.918114 0.097434
H -3.372092 -2.885088 -0.367605
H 2.851954 -0.695969 -2.247622
H -5.158838 -1.151873 -0.412812
H 4.973274 1.027785 -2.659570
H 3.533903 1.846207 -2.971145
H -6.271482 0.784908 -1.261916
H -6.572600 2.252043 -0.255273
H -6.421481 0.636507 0.534762


