%chk=000155395.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155395

0 1
 O   -2.537400     -0.3131000       1.057900    
 O   -1.390600       2.237000      -1.185700    
 O   -3.719400       2.311200      0.2297000    
 O   -4.298100      -2.396400      0.4032000    
 O    3.455200       2.446300      0.4847000    
 N  -0.2993000     -0.3539000      0.2786000    
 N   0.8861000      -2.220600     -0.2384000    
 N    1.537400       1.243700      0.4253000    
 N    3.678500      0.1892000      2.2000000E-03
 N    3.816700      -2.200500     -0.5102000    
 C   -1.466900      0.4633000      0.4901000    
 C   -1.987600       1.005700     -0.8315000    
 C   -3.469700       1.146200     -0.5561000    
 C   -3.749400     -7.3100001E-02  0.3107000    
 C   -4.066200      -1.325800     -0.4952000    
 C    1.004500      9.0700001E-02  0.2411000    
 C  -0.2947000      -1.694900     -1.7200001E-02
 C    1.760300      -1.146700     -9.0899996E-02
 C    3.092400      -1.072900     -0.2038000    
 C    2.915200       1.351000      0.3135000    
 C    5.132900      0.3137000     -0.1082000    
 H   -1.230800       1.268800       1.195700    
 H   -1.828900      0.2949000      -1.651700    
 H   -4.082700       1.215300      -1.458400    
 H   -4.542500      0.1094000       1.044800    
 H   -3.239800      -1.611600      -1.151900    
 H   -4.966100      -1.177700      -1.100300    
 H  -0.4335000       2.085600      -1.264300    
 H   -1.250800      -2.233600     -4.6599999E-02
 H   -3.264400       2.221200       1.083500    
 H   -4.504200      -3.181200     -0.1327000    
 H    5.442200      2.8700000E-02  -1.118700    
 H    5.606800     -0.3403000      0.6306000    
 H    5.470000       1.337000      7.6099999E-02
 H    4.822500      -2.151900     -0.5990000    
 H    3.339600      -3.083000     -0.6488000    


%chk=000155395-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155395

0 1
O -2.600629 -0.977381 0.550878
O -1.076960 2.237083 -0.381145
O -3.546685 2.193545 0.539434
O -5.148272 -2.165883 -0.268861
O 3.046501 2.500715 -0.652568
N -0.242272 -0.799714 0.495512
N 1.254988 -2.533209 0.623237
N 1.282213 1.048428 -0.102750
N 3.607258 0.235323 -0.266415
N 4.206608 -2.062712 0.105396
C -1.491691 -0.033976 0.620298
C -1.728572 0.962929 -0.547869
C -3.264781 1.158141 -0.449555
C -3.801732 -0.200085 0.073667
C -4.540176 -1.029955 -0.970052
C 1.002858 -0.244586 0.204065
C -0.034118 -2.175385 0.744704
C 1.909478 -1.330200 0.290689
C 3.271771 -1.067825 0.041434
C 2.606582 1.358573 -0.354182
C 5.014051 0.592902 -0.537024
H -1.492441 0.519865 1.583298
H -1.459527 0.462111 -1.501989
H -3.699251 1.434417 -1.430855
H -4.459724 -0.018364 0.942010
H -3.831386 -1.366784 -1.756455
H -5.321436 -0.388570 -1.433512
H -0.061999 2.041631 -0.297637
H -0.864225 -2.831632 0.988890
H -2.775475 2.829380 0.479941
H -5.569125 -2.774019 -0.926547
H 5.400562 0.048006 -1.418463
H 5.651082 0.393397 0.344762
H 5.026991 1.672578 -0.750964
H 5.196418 -1.910237 -0.064966
H 3.870415 -2.996808 0.341694


