%chk=000276558.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000276558

0 1
O 3.984312 -0.190387 0.800714
O 0.502466 0.735673 0.638555
O 1.622556 -1.421534 -1.456954
O 2.110529 1.124101 2.177231
O -1.736829 -2.017973 0.970241
N -3.592448 0.659040 -0.378665
C 2.738482 -0.022856 0.109112
C 2.918967 0.871086 -1.150669
C 2.355450 -1.502055 -0.207941
C 1.777784 0.660936 1.106185
C -2.481429 0.201408 0.359610
C 4.042002 0.315603 -2.028853
C 3.198442 2.325422 -0.763718
C -4.450150 -0.435472 -0.890236
C -1.747894 1.327505 0.757031
C -3.731234 -1.708960 -0.390265
C 1.516187 -2.148142 0.880150
C -0.495920 1.326281 1.548445
C -2.491008 -1.260583 0.417061
C -3.578368 2.034608 -0.447598
C -2.434805 2.467696 0.254874
C 1.374185 -2.694199 -2.079502
H 1.949646 0.818799 -1.718280
H 3.301332 -2.068506 -0.385520
H 3.748174 -0.644361 -2.473167
H 4.286243 0.998332 -2.847925
H 4.956030 0.147691 -1.443803
H 2.364463 2.778182 -0.215787
H 4.099813 2.417711 -0.147249
H 3.359101 2.940323 -1.657650
H -4.514091 -0.398470 -1.998329
H -5.480320 -0.349474 -0.484888
H -3.411240 -2.357993 -1.225284
H -4.384014 -2.332770 0.245693
H 1.943641 -1.982594 1.876859
H 1.430378 -3.230947 0.743575
H 0.482413 -1.753243 0.883138
H -0.145130 2.334157 1.835811
H -0.547621 0.677214 2.444599
H 4.166066 0.574148 1.401141
H -4.322133 2.620802 -0.955848
H -2.132585 3.488487 0.381831
H 2.309089 -3.236073 -2.247188
H 0.913622 -2.404828 -3.031697
H 0.676748 -3.282983 -1.475436


%chk=000276558-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000276558

0 1
O 4.016013 -0.157525 0.905283
O 0.548531 0.945922 0.439331
O 1.442973 -1.331249 -1.444971
O 1.954403 0.819296 2.286262
O -1.733200 -1.925349 1.106740
N -3.704377 0.612713 -0.435493
C 2.785752 0.006991 0.116209
C 3.064929 0.949491 -1.099653
C 2.372856 -1.443976 -0.310081
C 1.732360 0.628434 1.058801
C -2.577340 0.232995 0.302447
C 4.153775 0.353822 -2.019751
C 3.476752 2.358925 -0.614481
C -4.582764 -0.519259 -0.822973
C -1.828974 1.400879 0.589060
C -3.856669 -1.752461 -0.208851
C 1.800796 -2.275085 0.852633
C -0.547722 1.457323 1.351541
C -2.575659 -1.210120 0.496142
C -3.707552 1.975709 -0.625961
C -2.547174 2.490520 0.004005
C 1.150488 -2.614104 -2.078994
H 2.116554 1.013685 -1.663478
H 3.318906 -1.912015 -0.663727
H 3.809074 -0.579380 -2.497793
H 4.399749 1.071904 -2.823870
H 5.074424 0.145007 -1.446244
H 2.689886 2.836215 -0.000038
H 4.402143 2.305423 -0.013349
H 3.665623 3.017750 -1.481463
H -4.659896 -0.579673 -1.922535
H -5.596073 -0.374711 -0.409188
H -3.558773 -2.489012 -0.974697
H -4.479311 -2.281103 0.533274
H 2.453471 -2.172073 1.737463
H 1.763186 -3.348030 0.593593
H 0.776698 -1.952446 1.112663
H -0.281661 2.486471 1.647317
H -0.551032 0.814843 2.248641
H 3.815556 0.163070 1.829476
H -4.494342 2.489589 -1.174322
H -2.255558 3.540127 0.028233
H 2.083402 -3.159195 -2.343654
H 0.594755 -2.375736 -3.000661
H 0.525924 -3.263799 -1.433481


