%chk=000158855.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158855

0 1
 O   -3.118100      0.3798000     -0.8647000    
 O   -4.575200      -2.141800      0.1594000    
 O   -4.861900       2.548200     -0.5947000    
 O    3.612900       1.171800      8.6300001E-02
 N  -0.8801000      0.1592000     -0.1094000    
 N   0.6215000       1.794600      0.1273000    
 N   0.6148000      -1.742300     -0.3411000    
 N    2.953500      -1.055500     -0.2179000    
 N    2.352200      -3.298800     -0.5240000    
 C   -2.179400     -0.4946000     -0.2146000    
 C   -4.268800     -0.8979000      0.7854000    
 C   -2.795200     -0.8826000       1.122000    
 C   -4.405700      0.2321000     -0.2296000    
 C   -4.767600       1.561700      0.4178000    
 C   0.3490000     -0.4382000     -0.1718000    
 C  -0.6608000       1.501600      7.0500001E-02
 C    1.264300      0.5914000     -2.2700001E-02
 C    2.611400      0.2446000     -4.9899999E-02
 C    1.948800      -1.954900     -0.3512000    
 C    4.947200      0.6822000      3.9999999E-02
 C    5.851100       1.748300     -0.5601000    
 C    5.386100      0.2911000       1.442900    
 H   -2.049200      -1.368200     -0.8643000    
 H   -4.918300     -0.7962000       1.658700    
 H   -2.592000     -0.1188000       1.882100    
 H   -2.409200      -1.841700       1.480900    
 H   -5.125200     -6.2000002E-03  -1.021200    
 H   -3.997100       1.884000       1.125600    
 H   -5.729600       1.496100      0.9353000    
 H   -1.467700       2.216400      0.1583000    
 H   -4.115700      -2.186800     -0.6957000    
 H   -5.094400       3.385600     -0.1586000    
 H    5.041600     -0.1856000     -0.6252000    
 H    6.889200       1.407200     -0.6174000    
 H    5.513100       2.011900      -1.568100    
 H    5.816700       2.668700      3.3300001E-02
 H    6.421600     -6.3299999E-02   1.449400    
 H    4.750700     -0.5009000       1.852300    
 H    5.305600       1.142800       2.127500    
 H    1.650200      -4.018300     -0.6287000    
 H    3.337400      -3.523200     -0.5398000    


%chk=000158855-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000158855

0 1
O -3.435129 0.194655 -1.155269
O -5.238328 -1.878169 0.135316
O -3.719483 2.750227 0.230457
O 3.387528 1.214452 -0.169456
N -1.086364 0.028332 -0.670377
N 0.402261 1.779793 -0.697074
N 0.458723 -1.840860 -0.190945
N 2.782650 -1.066616 0.053294
N 2.220435 -3.329022 0.253259
C -2.347928 -0.736226 -0.842221
C -4.218387 -1.006509 0.731734
C -2.774195 -1.505424 0.444911
C -4.241229 0.398930 0.087927
C -3.687802 1.500970 0.998651
C 0.165302 -0.528321 -0.407791
C -0.881594 1.417134 -0.852642
C 1.078041 0.572751 -0.420432
C 2.436591 0.227252 -0.169389
C 1.798331 -2.035499 0.028925
C 4.824841 0.832612 0.091829
C 5.643721 1.942855 -0.569724
C 5.041986 0.714747 1.606780
H -2.226895 -1.397018 -1.717652
H -4.464756 -1.002025 1.804981
H -2.090086 -1.268630 1.276163
H -2.763329 -2.595787 0.298640
H -5.247324 0.679978 -0.262868
H -2.657007 1.261162 1.333073
H -4.345665 1.566895 1.892584
H -1.715174 2.079641 -1.076582
H -5.140508 -1.842023 -0.851910
H -3.342166 3.485115 0.776288
H 4.995104 -0.145312 -0.394297
H 6.723068 1.738320 -0.448091
H 5.416563 2.007589 -1.647296
H 5.416721 2.920117 -0.108967
H 6.103605 0.488253 1.818022
H 4.423609 -0.095327 2.027329
H 4.783085 1.664413 2.107628
H 1.540540 -4.083241 0.233423
H 3.208343 -3.506686 0.406070


