%chk=000160245.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000160245

0 1
 O   0.5853000      0.3662000      -1.690700    
 O    5.304100      0.8724000      0.4629000    
 N    2.005200      -1.670400     -0.1434000    
 N   -3.965500      -1.018300      0.2797000    
 C   0.4654000      0.3305000     -0.2607000    
 C   0.6452000      -1.184100      0.2037000    
 C    1.575000       1.204000      0.3471000    
 C    2.963500      0.6224000      5.7799999E-02
 C  -0.4910000      -2.123800     -0.3639000    
 C    3.039900     -0.8427000      0.5017000    
 C  -0.9352000      0.8240000      7.1300000E-02
 C   -1.955000     -0.1373000      9.3699999E-02
 C   -1.833600      -1.528000     -0.1033000    
 C    4.045700       1.451900      0.7491000    
 C    2.221200      -3.073000      0.2240000    
 C   -3.279200      0.1754000      0.3363000    
 C   -1.334200       2.149200      0.2917000    
 C   -3.097500      -2.057300      1.1900000E-02
 C   -3.683300       1.488600      0.5724000    
 C   -2.678400       2.468800      0.5427000    
 C   0.4020000       1.681400      -2.184100    
 H   0.5414000      -1.202400       1.301100    
 H    1.431100       1.222700       1.438300    
 H    1.554300       2.256800      5.7100002E-02
 H    3.151500      0.6566000      -1.024300    
 H  -0.4503000      -3.107500      0.1169000    
 H  -0.3604000      -2.265700      -1.443500    
 H    4.024800      -1.240300      0.2265000    
 H    2.960800     -0.9120000       1.595500    
 H    3.911600       1.460700       1.835600    
 H    4.044700       2.487900      0.3949000    
 H    3.256200      -3.373600      2.2299999E-02
 H    1.603400      -3.742200     -0.3826000    
 H    2.012900      -3.258200       1.283700    
 H  -0.6099000       2.958900      0.2771000    
 H   -3.466200      -3.070500     -6.3900001E-02
 H   -4.961600      -1.120600      0.4157000    
 H   -4.718500       1.745800      0.7642000    
 H   -2.950700       3.507800      0.7155000    
 H  -0.6418000       2.003000      -2.166800    
 H   0.6488000       1.630400      -3.251800    
 H    1.075900       2.439300      -1.786600    
 H    5.436500      0.9122000     -0.4996000    


%chk=000160245-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000160245

0 1
O 0.629327 0.303325 -1.703080
O 5.460177 0.997616 0.324372
N 2.004157 -1.670149 -0.025287
N -4.019723 -1.004003 0.159515
C 0.479901 0.347610 -0.211434
C 0.626466 -1.165993 0.227371
C 1.603979 1.209422 0.406206
C 2.990357 0.611724 0.101346
C -0.442352 -2.070528 -0.466842
C 3.035477 -0.832675 0.628100
C -0.919735 0.853178 0.159472
C -1.950370 -0.106999 0.076521
C -1.818177 -1.505245 -0.220276
C 4.115362 1.473081 0.698419
C 2.189998 -3.096270 0.313027
C -3.321881 0.200267 0.321083
C -1.301759 2.163637 0.511167
C -3.104242 -2.037075 -0.160764
C -3.707395 1.517838 0.661293
C -2.675552 2.480549 0.754716
C 0.324147 1.542557 -2.418201
H 0.411138 -1.174015 1.333256
H 1.450315 1.259803 1.503685
H 1.536928 2.248429 0.028110
H 3.107274 0.563284 -1.001321
H -0.374438 -3.102141 -0.080571
H -0.200307 -2.091596 -1.546186
H 4.029165 -1.269492 0.422415
H 2.906139 -0.811006 1.746523
H 4.110261 1.422563 1.802150
H 3.979654 2.535546 0.396933
H 3.255148 -3.355058 0.179009
H 1.607068 -3.743844 -0.361974
H 1.907614 -3.344485 1.369053
H -0.556246 2.960976 0.604546
H -3.454877 -3.056777 -0.311334
H -5.023031 -1.130079 0.269683
H -4.749607 1.795837 0.853231
H -2.938605 3.510251 1.022981
H -0.727594 1.857756 -2.273984
H 0.496573 1.308191 -3.481456
H 0.991644 2.379342 -2.122303
H 5.531722 1.013651 -0.663969


