%chk=000245405.chk
%nprocshared=4
%mem=7GB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000245405

0 1
O -1.716312 1.156227 -2.235665
O 4.244102 -1.020636 -0.104551
O 2.676240 -0.689353 1.495361
N -2.488903 -0.161305 -0.534501
C -2.329131 -1.364707 0.341900
C -3.627055 0.778340 -0.237048
C -1.552728 0.179475 -1.517302
C -0.317810 -0.697912 -1.683896
C -3.661409 -2.106158 0.504334
C -1.734559 -0.964305 1.697011
C -4.558218 0.873233 -1.449959
C -3.094031 2.156305 0.170957
C 0.762491 -0.272249 -0.686955
C 2.024114 -1.128337 -0.828993
C 2.947571 -0.906157 0.337640
C 5.326654 -0.838156 0.863381
C 5.517237 0.636358 1.149340
H -1.611157 -2.067921 -0.170890
H -4.199176 0.346140 0.628453
H -0.563917 -1.773195 -1.574009
H 0.047266 -0.572720 -2.726500
H -3.517275 -3.053635 1.035047
H -4.395477 -1.522737 1.074775
H -4.114707 -2.333007 -0.468443
H -0.730728 -0.521578 1.571230
H -1.628541 -1.829562 2.359680
H -2.349833 -0.224301 2.220016
H -5.415291 1.519974 -1.242637
H -4.027121 1.299346 -2.318093
H -4.934017 -0.108368 -1.752456
H -2.399181 2.092906 1.013383
H -3.910122 2.828361 0.451398
H -2.552511 2.632216 -0.663739
H 0.372197 -0.343904 0.359320
H 1.012576 0.799029 -0.839354
H 2.546151 -0.909689 -1.786615
H 1.770937 -2.209963 -0.874218
H 6.172949 -1.290250 0.314563
H 5.087305 -1.420343 1.770737
H 6.416032 0.816356 1.750644
H 5.611451 1.218438 0.223410
H 4.660637 1.047545 1.704943


%chk=000245405-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000245405

0 1
O -1.663894 1.225164 -2.167161
O 4.430874 -1.003792 -0.256200
O 2.890054 -0.780122 1.483417
N -2.499278 -0.079863 -0.423644
C -2.413037 -1.256656 0.495428
C -3.686788 0.829644 -0.259423
C -1.556068 0.204884 -1.406321
C -0.322196 -0.701704 -1.560806
C -3.581714 -2.246693 0.264455
C -2.308663 -0.825161 1.979493
C -4.587421 0.844366 -1.517418
C -3.268105 2.253113 0.178774
C 0.789388 -0.353420 -0.536954
C 2.102541 -1.108287 -0.839553
C 3.135304 -0.936349 0.263737
C 5.555479 -0.876549 0.725353
C 5.911124 0.595940 0.948048
H -1.479508 -1.786713 0.248387
H -4.275206 0.387201 0.566157
H -0.568873 -1.779751 -1.506834
H 0.048593 -0.502498 -2.581663
H -3.453645 -3.139064 0.904179
H -4.557627 -1.792923 0.515868
H -3.616536 -2.574860 -0.789571
H -1.459287 -0.136111 2.131112
H -2.151257 -1.713540 2.617982
H -3.228913 -0.322691 2.328485
H -5.493915 1.445557 -1.317448
H -4.047905 1.287128 -2.369027
H -4.904107 -0.178976 -1.789209
H -2.661055 2.218882 1.101384
H -4.170189 2.860861 0.379330
H -2.680813 2.740128 -0.615222
H 0.470723 -0.591844 0.494206
H 0.974125 0.736844 -0.567564
H 2.542703 -0.791988 -1.800878
H 1.896685 -2.195482 -0.928861
H 6.377733 -1.435188 0.250309
H 5.255034 -1.364270 1.669422
H 6.796323 0.671025 1.606763
H 6.149408 1.092632 -0.008258
H 5.076609 1.130926 1.431428


