%chk=000156890.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156890

0 1
 O  -0.9332000       2.248200      6.4400002E-02
 O   -5.025500     -0.1842000      7.2800003E-02
 N    1.286600      -1.185300     -0.4756000    
 N    1.348400      0.7539000      0.6182000    
 N    3.765200      0.9435000      0.7469000    
 C  -0.8735000     -0.1546000      8.7099999E-02
 C   0.5696000     -0.1667000      9.2600003E-02
 C    2.614200     -0.9017000     -0.3042000    
 C   -1.581000       1.048300      7.3100001E-02
 C    2.624200      0.3091000      0.3789000    
 C   -1.563900      -1.367400      9.6799999E-02
 C   -2.975800       1.038500      6.8700001E-02
 C   -3.664600     -0.1744000      7.8500003E-02
 C   -2.958800      -1.377500      9.2500001E-02
 C    3.788300      -1.554900     -0.6624000    
 C    4.968100     -0.9157000     -0.2911000    
 C    4.899000      0.2945000      0.3911000    
 C  -0.6211000       2.805400      -1.210200    
 C   -5.666000      -1.459200      8.1699997E-02
 H   0.9160000      -1.996500     -0.9529000    
 H   -1.046900      -2.323500      0.1233000    
 H   -3.527800       1.975100      5.8600001E-02
 H   -3.430500      -2.354100      0.1039000    
 H    3.788400      -2.498200      -1.194500    
 H    5.930000      -1.356900     -0.5314000    
 H    5.815100      0.8003000      0.6847000    
 H  -4.9600001E-02   3.724000      -1.051200    
 H   -1.539600       3.054800      -1.750800    
 H  -1.3800000E-02   2.115200      -1.804100    
 H   -5.431900      -2.033400     -0.8211000    
 H   -6.745900      -1.278500      7.4299999E-02
 H   -5.441300      -2.016000      0.9979000    


%chk=000156890-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156890

0 1
O -1.439286 2.458550 -0.390740
O -5.195459 -0.297616 0.174507
N 1.248122 -1.064365 -0.731442
N 1.327470 0.836057 0.541446
N 3.780370 0.906468 0.814259
C -0.955937 -0.028925 -0.145767
C 0.514418 -0.021198 -0.113733
C 2.598789 -0.856215 -0.456539
C -1.807880 1.128723 -0.207806
C 2.633103 0.349140 0.338872
C -1.595025 -1.297920 -0.009691
C -3.209349 0.975952 -0.084625
C -3.799941 -0.292085 0.068292
C -2.985549 -1.456940 0.092338
C 3.788252 -1.529860 -0.788838
C 4.977135 -0.949049 -0.290935
C 4.925898 0.242950 0.488706
C -0.173434 2.854596 -1.032809
C -5.860311 -1.594992 0.327114
H 0.847515 -1.787813 -1.326529
H -0.965114 -2.189800 0.090432
H -3.838204 1.867986 -0.135120
H -3.410858 -2.455491 0.220514
H 3.805936 -2.444395 -1.390656
H 5.948284 -1.408206 -0.499774
H 5.853318 0.685914 0.868744
H -0.343252 3.895031 -1.349482
H 0.035653 2.221597 -1.916814
H 0.658311 2.780004 -0.314720
H -5.668823 -2.250658 -0.544374
H -6.933072 -1.360707 0.385885
H -5.538682 -2.104635 1.255786


