%chk=000122759.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122759

0 1
 O   -2.177200      -1.357100      -1.783600    
 O   -2.722600      -2.633100      1.1000000E-03
 O   -2.726100       2.426300      0.9808000    
 N    2.032700      -2.112200     -0.1169000    
 N   -1.762700      0.8134000     -0.3909000    
 N   -1.706500       3.035000     -0.9840000    
 C  -0.9300000     -0.6323000       1.420700    
 C   0.3623000     -0.9632000      0.7866000    
 C   -2.070000     -0.3410000      0.4158000    
 C    1.387600     -4.6000000E-02  0.4226000    
 C    2.424000     -0.7926000     -0.1419000    
 C   0.7882000      -2.225400      0.4424000    
 C    1.533800       1.352200      0.5197000    
 C    3.603900     -0.2087000     -0.6163000    
 C   -2.354500      -1.555600     -0.4554000    
 C    2.708600       1.950000      4.9300000E-02
 C    3.726500       1.179600     -0.5095000    
 C   -2.118000       2.110700     -4.0500000E-02
 H  -0.8044000      0.2331000       2.084200    
 H   -1.234000      -1.464300       2.070000    
 H   -2.992100     -0.1263000      0.9694000    
 H   0.3204000      -3.194700      0.5451000    
 H    2.585100      -2.885200     -0.4616000    
 H   0.7560000       1.969000      0.9596000    
 H   -1.244200      0.6768000      -1.253700    
 H    4.396900     -0.8075000      -1.051400    
 H    2.827600       3.027700      0.1231000    
 H    4.630800       1.664600     -0.8682000    
 H   -2.373000      -2.165000      -2.304500    
 H   -1.202500       2.755700      -1.818900    
 H   -1.894100       4.025000     -0.8663000    


%chk=000122759-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122759

0 1
O -2.051809 -1.323143 -1.889585
O -2.650373 -2.673859 -0.100505
O -2.795844 2.294110 1.097633
N 2.116307 -2.201099 0.036847
N -1.800734 0.872937 -0.465867
N -1.762429 3.203492 -0.789306
C -0.999035 -0.637167 1.411295
C 0.349139 -0.981525 0.832869
C -2.099950 -0.312296 0.330897
C 1.386256 -0.063114 0.383460
C 2.482761 -0.858085 -0.110583
C 0.836557 -2.270731 0.606529
C 1.506774 1.353539 0.365832
C 3.669051 -0.283625 -0.619227
C -2.318409 -1.548814 -0.530573
C 2.688513 1.931907 -0.136484
C 3.757154 1.123039 -0.627625
C -2.157617 2.130957 0.008940
H -0.941536 0.254588 2.061355
H -1.381608 -1.472897 2.024369
H -3.035380 -0.113412 0.889576
H 0.362325 -3.227916 0.817825
H 2.697239 -3.000913 -0.203611
H 0.698879 1.986711 0.747954
H -1.301693 0.742520 -1.345707
H 4.494747 -0.901191 -0.990636
H 2.797465 3.022292 -0.146036
H 4.663611 1.604087 -1.011898
H -2.172736 -2.173636 -2.391960
H -1.228298 3.100244 -1.649288
H -2.036830 4.131902 -0.479689


