%chk=000180758.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000180758

0 1
O -0.350056 0.056927 2.072240
O -1.954571 2.795300 1.412724
O -2.898050 -0.357516 -0.575703
O 4.741768 -2.280786 -1.957713
O -5.028143 -0.074234 -0.987427
O -4.388465 -0.695418 1.148384
N 1.595727 -0.182840 0.795318
N 3.352537 1.268774 -0.318655
N 2.328302 -2.204622 -0.006156
N 4.896090 -0.006406 -1.703138
N 5.009279 2.378995 -1.646415
C 0.769438 0.791215 1.557256
C -1.316950 1.760915 0.684398
C 0.219700 1.929317 0.683869
C -1.558759 0.374604 1.330417
C -1.799319 -0.734761 0.300591
C 2.699452 0.065073 -0.029243
C 1.422170 -1.613783 0.776120
C 3.135801 -1.190058 -0.523444
C 4.283660 -1.298488 -1.442876
C 4.457878 1.133447 -1.237534
C -4.155639 -0.415728 -0.003981
C -6.457239 -0.093626 -0.614990
C -6.938152 -1.516048 -0.457572
H 1.331920 1.116377 2.466660
H -1.775712 1.858294 -0.328544
H 0.597094 1.901371 -0.355689
H 0.493425 2.925242 1.079261
H -2.356712 0.386193 2.111652
H -2.015692 -1.704431 0.786223
H -0.973407 -0.848992 -0.430230
H -1.711365 2.780069 2.364378
H 0.647092 -2.087472 1.363161
H 2.936162 2.165878 -0.098453
H 5.763369 2.274390 -2.332593
H 5.291847 3.001733 -0.896188
H -6.586452 0.514043 0.297558
H -6.876097 0.421965 -1.501351
H -8.030056 -1.561592 -0.354194
H -6.662605 -2.137911 -1.320856
H -6.506273 -1.993412 0.436633


%chk=000180758-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000180758

0 1
O -0.334807 0.211922 2.254082
O -1.531879 2.996393 2.058124
O -2.913240 0.005452 -0.524671
O 4.820620 -2.522630 -1.599462
O -5.104411 0.095787 -0.912077
O -4.361446 -0.996622 1.035196
N 1.620223 -0.192063 0.912850
N 3.189974 1.162190 -0.519617
N 2.449267 -2.267503 0.403278
N 4.757094 -0.179654 -1.793876
N 4.775154 2.153673 -1.979598
C 0.837618 0.845888 1.633399
C -1.229542 2.023575 1.005191
C 0.293567 1.961730 0.689124
C -1.545282 0.584360 1.455488
C -1.759713 -0.422666 0.307876
C 2.668134 -0.012832 0.012945
C 1.549586 -1.597181 1.130145
C 3.169037 -1.287091 -0.308103
C 4.291792 -1.433751 -1.257367
C 4.253683 0.988034 -1.443016
C -4.162134 -0.365764 -0.028205
C -6.528343 -0.244468 -0.572447
C -6.874391 -1.661917 -1.030101
H 1.447011 1.235099 2.469551
H -1.831839 2.342859 0.142273
H 0.449277 1.689160 -0.369138
H 0.746363 2.948100 0.882865
H -2.393812 0.547450 2.157328
H -1.943321 -1.428353 0.721619
H -0.913295 -0.448888 -0.395519
H -1.184130 2.654164 2.922943
H 0.825498 -2.021325 1.818566
H 2.887249 2.087345 -0.213771
H 5.547075 2.033999 -2.631378
H 4.354087 3.070972 -1.860412
H -6.666434 -0.122370 0.516244
H -7.099345 0.521938 -1.118730
H -7.951352 -1.848830 -0.863152
H -6.665990 -1.790559 -2.105835
H -6.304605 -2.413628 -0.458715


