%chk=000180348.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180348

0 1
O -1.860709 -0.428347 0.125331
O 1.936048 -2.622375 1.004856
O 3.611361 -2.004303 -0.330381
O -2.147620 1.827242 -0.220565
N -0.134377 0.977847 0.543489
C 0.772193 -0.152935 0.861276
C 1.466631 -0.739869 -0.415273
C 0.621141 2.267926 0.514713
C 1.782145 0.505562 1.834642
C 1.768393 2.017625 1.528268
C 2.247758 0.319155 -1.227193
C 1.121759 2.623466 -0.900371
C 1.374306 1.426446 -1.826391
C 0.451771 -1.482340 -1.290797
C 2.479302 -1.801095 0.038274
C -1.444664 0.883646 0.100553
C -3.296860 -0.759350 -0.116002
C -3.651593 -0.349153 -1.537820
C -3.251387 -2.274397 0.073993
C -4.138814 -0.055283 0.937649
H 0.187317 -0.972744 1.354714
H -0.060809 3.080849 0.873587
H 2.795862 0.085609 1.741314
H 1.468638 0.318415 2.877809
H 1.600085 2.599762 2.450118
H 2.740210 2.347954 1.125324
H 2.793100 -0.197285 -2.045929
H 3.039700 0.765404 -0.593557
H 2.039770 3.235982 -0.818479
H 0.366723 3.279452 -1.383853
H 0.400587 1.003469 -2.152477
H 1.856555 1.798414 -2.753666
H 0.927007 -1.992397 -2.135017
H -0.115856 -2.223711 -0.710194
H -0.292488 -0.784142 -1.703920
H 2.561621 -3.338318 1.293343
H -2.967256 -0.787627 -2.271475
H -4.669347 -0.651960 -1.802806
H -3.592119 0.746556 -1.657118
H -2.849719 -2.537817 1.061119
H -2.603412 -2.753539 -0.669564
H -4.250408 -2.713386 -0.013434
H -4.099956 1.039660 0.808528
H -5.190152 -0.353436 0.882009
H -3.780540 -0.268633 1.951169


%chk=000180348-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180348

0 1
O -1.947024 -0.451573 0.198095
O 1.948217 -2.803936 0.784099
O 3.866225 -1.747968 0.040189
O -2.186889 1.882115 -0.161938
N -0.110473 0.917872 0.297513
C 0.767189 -0.191248 0.725063
C 1.636586 -0.741817 -0.480157
C 0.594834 2.226169 0.383612
C 1.605487 0.471599 1.854492
C 1.677814 1.985642 1.488984
C 2.475586 0.358319 -1.206436
C 1.181144 2.658305 -0.990016
C 1.666058 1.491046 -1.892029
C 0.710732 -1.489351 -1.483448
C 2.616093 -1.767108 0.105483
C -1.474338 0.867191 0.087720
C -3.428588 -0.748046 0.017460
C -3.868950 -0.349587 -1.405882
C -3.467786 -2.274909 0.209035
C -4.236974 -0.021813 1.111824
H 0.152010 -1.023376 1.098811
H -0.142695 2.982167 0.703904
H 2.607597 0.020701 1.960377
H 1.077695 0.334765 2.814390
H 1.473636 2.614180 2.372789
H 2.677436 2.264007 1.114525
H 3.074782 -0.161532 -1.978286
H 3.217850 0.782735 -0.505059
H 2.014731 3.362990 -0.797973
H 0.409495 3.222131 -1.547971
H 0.792726 1.054328 -2.411005
H 2.298004 1.929142 -2.689443
H 1.293038 -1.867286 -2.343904
H 0.204870 -2.337327 -0.994067
H -0.068120 -0.807533 -1.861964
H 2.625040 -3.438705 1.144859
H -3.229974 -0.844414 -2.159402
H -4.912065 -0.675902 -1.572083
H -3.810936 0.741078 -1.544431
H -3.100567 -2.550843 1.212647
H -2.834774 -2.775616 -0.544156
H -4.504388 -2.640583 0.099072
H -4.176128 1.070118 0.984008
H -5.297088 -0.330169 1.053234
H -3.855223 -0.289957 2.113261


