%chk=000219258.chk
%nprocshared=4
%mem=3GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000219258

0 1
O 2.417161 -1.095068 -0.522572
O -0.128434 -2.664979 0.149984
O 2.406122 2.980623 -1.170804
O 0.898372 3.757104 0.291015
O 2.357718 -1.361474 1.732862
N -0.502658 -0.408825 0.471525
C 0.097587 0.932458 0.689999
C -1.929781 -0.476303 0.210714
C 0.673282 1.488603 -0.623163
C 0.292801 -1.556219 0.384050
C -2.412387 -1.237269 -0.866874
C -2.814001 0.224340 1.049122
C 1.264815 2.844129 -0.407801
C -3.787439 -1.281058 -1.107793
C -4.184679 0.172819 0.787235
C 1.800009 -1.329285 0.667936
C -4.674029 -0.573901 -0.289577
C 3.885276 -0.934372 -0.527768
C 4.151541 0.192871 -1.497781
H 0.888011 0.871939 1.475543
H -0.673533 1.634743 1.091651
H 1.431565 0.787429 -1.059635
H -0.121332 1.553875 -1.402646
H -1.726084 -1.810751 -1.492232
H -2.444293 0.790338 1.902503
H -4.168249 -1.874439 -1.939473
H -4.876189 0.714551 1.432766
H -5.744165 -0.610423 -0.485635
H 4.235617 -0.728119 0.499951
H 4.261483 -1.913204 -0.873893
H 5.229098 0.344673 -1.641363
H 3.711763 -0.009981 -2.484734
H 3.725927 1.150092 -1.154818
H 2.821503 3.881584 -1.083494


%chk=000219258-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000219258

0 1
O 2.489664 -0.938664 -0.435293
O -0.116547 -2.741545 0.121428
O 1.373610 3.702913 -1.455243
O 1.143291 3.587064 0.853116
O 2.395253 -1.821265 1.729698
N -0.440213 -0.426494 0.464313
C 0.188618 0.888559 0.747581
C -1.864056 -0.457226 0.184135
C 0.436168 1.679587 -0.554236
C 0.323995 -1.587620 0.386391
C -2.356870 -1.158273 -0.944532
C -2.764902 0.226287 1.037914
C 1.003069 3.053582 -0.270414
C -3.741718 -1.165914 -1.214869
C -4.147899 0.221217 0.754018
C 1.827173 -1.440412 0.685283
C -4.642693 -0.473742 -0.373031
C 3.992041 -0.919923 -0.362919
C 4.486989 -0.319375 -1.673326
H 1.136948 0.734325 1.288032
H -0.456395 1.470060 1.424865
H 1.130166 1.128311 -1.213641
H -0.507370 1.803035 -1.119776
H -1.664970 -1.704301 -1.590204
H -2.398320 0.739260 1.933400
H -4.115666 -1.713192 -2.086897
H -4.837069 0.749663 1.421550
H -5.716460 -0.481116 -0.588620
H 4.286488 -0.325507 0.520637
H 4.332828 -1.959646 -0.212507
H 5.591917 -0.296167 -1.676656
H 4.150482 -0.920488 -2.534819
H 4.120446 0.713844 -1.802365
H 1.724402 4.609663 -1.238213


