%chk=000150799.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000150799

0 1
 O  -0.2675000       2.868600      0.4602000    
 O  -0.5900000      -3.358800      0.5501000    
 O   -2.650000      -2.936300     -8.0100000E-02
 N    2.771200      0.1983000      0.4498000    
 N   -2.797000       2.126000     -0.2765000    
 N   -1.504100      -2.557000      0.2520000    
 C    2.666000      0.3476000      -1.008500    
 C    4.109800      0.5729000      0.9271000    
 C    3.699500     -0.5205000      -1.727800    
 C    5.190500     -0.2882000      0.2710000    
 C    5.113600     -0.2109000      -1.249500    
 C    1.746600      0.9977000       1.121000    
 C   0.3570000      0.5824000      0.7167000    
 C  -0.5990000       1.542100      0.4009000    
 C   5.2700002E-02 -0.7663000      0.6659000    
 C   -1.889100       1.178300      2.4700001E-02
 C   -1.229700      -1.158200      0.2928000    
 C   -2.202300     -0.1960000     -2.8000001E-02
 C   -3.500700     -0.5628000     -0.4068000    
 C   -4.438400      0.4113000     -0.7176000    
 C   -4.039100       1.730000     -0.6375000    
 H    2.807200       1.397000      -1.301100    
 H    1.687200      3.9999999E-02  -1.390300    
 H    4.171100      0.4278000       2.012500    
 H    4.314500       1.633100      0.7277000    
 H    3.632900     -0.3565000      -2.809300    
 H    3.476800      -1.580400      -1.550300    
 H    5.072800      -1.331500      0.5904000    
 H    6.180400      3.9500002E-02  0.6082000    
 H    5.824900     -0.9126000      -1.698600    
 H    5.399800      0.7951000      -1.579900    
 H    1.922700       2.062700      0.9263000    
 H    1.818800      0.8611000       2.208200    
 H   0.8127000      -1.494900      0.9355000    
 H   -3.939200      -1.539300     -0.5091000    
 H   -1.047900       3.392600      0.2094000    
 H   -5.448100      0.1497000      -1.012800    
 H   -4.728900       2.534900     -0.8689000    


%chk=000150799-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000150799

0 1
O -0.658970 3.033281 0.496695
O -0.157732 -3.252186 -0.149045
O -2.420721 -3.128028 -0.326925
N 2.800551 0.415168 0.218893
N -3.080439 2.124574 0.108254
N -1.257897 -2.570183 -0.168136
C 3.014212 0.423896 -1.252647
C 4.072956 0.599854 0.962295
C 3.993429 -0.688951 -1.676147
C 5.078933 -0.514149 0.608109
C 5.333560 -0.558735 -0.916143
C 1.742240 1.354770 0.639762
C 0.341552 0.815507 0.376005
C -0.771319 1.670902 0.334918
C 0.100524 -0.570717 0.205246
C -2.101526 1.149351 0.122921
C -1.182164 -1.108306 -0.003469
C -2.349010 -0.257959 -0.050603
C -3.724236 -0.624802 -0.251449
C -4.710879 0.369233 -0.265517
C -4.356065 1.739436 -0.082403
H 3.413176 1.418115 -1.586331
H 2.037108 0.281225 -1.750317
H 3.849621 0.579281 2.045674
H 4.535885 1.596338 0.734125
H 4.157269 -0.635634 -2.769499
H 3.534505 -1.671838 -1.454667
H 4.663810 -1.484770 0.941542
H 6.024075 -0.344080 1.158575
H 6.005880 -1.399263 -1.171261
H 5.847277 0.373619 -1.230888
H 1.835396 2.359906 0.161331
H 1.847317 1.530107 1.729465
H 0.965700 -1.239816 0.240153
H -3.978528 -1.675654 -0.388334
H -1.610572 3.379775 0.414759
H -5.760895 0.101950 -0.416263
H -5.116327 2.527282 -0.090880


