%chk=000148228.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148228

0 1
 O    1.079000       1.056300      5.3900000E-02
 O    2.797500      -2.647300     -0.6241000    
 O    3.165300     -7.5199999E-02  -1.584700    
 O   6.1900001E-02  -2.471700      0.2905000    
 O    2.474200       3.294600      0.8243000    
 O   -2.103500     -0.9130000       1.666000    
 O   -4.627200       1.158200      -1.576600    
 N   -1.071300      0.2137000     -5.2099999E-02
 N   -3.432900      0.1064000      6.4599998E-02
 N   -3.480000      0.9194000      -1.184500    
 C    2.282700      -1.548400      0.1230000    
 C    3.090800     -0.2829000     -0.1727000    
 C   0.8015000      -1.359200     -0.2129000    
 C    2.434400      0.9277000      0.5015000    
 C   0.2677000     -6.2799998E-02  0.4052000    
 C    3.149000       2.233000      0.1730000    
 C   -2.197600     -0.2449000      0.6314000    
 C   -4.691500     -0.3038000      0.6743000    
 H    2.383100      -1.810600       1.183800    
 H    4.121400     -0.4097000      0.1764000    
 H   0.6654000      -1.356200      -1.301100    
 H    2.417700      0.7992000       1.591800    
 H   0.2394000     -0.1451000       1.499400    
 H    3.124200       2.442400     -0.9012000    
 H    4.188700       2.209100      0.5136000    
 H   -1.162800      0.7422000     -0.9116000    
 H    3.738600      -2.739600     -0.3973000    
 H    2.279500      0.1699000      -1.901100    
 H   0.1581000      -2.482900       1.258100    
 H    2.948700       4.114300      0.6041000    
 H   -4.520200     -0.8921000       1.579500    
 H   -5.252900     -0.9144000     -3.9299998E-02
 H   -5.267800      0.5875000      0.9398000    


%chk=000148228-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148228

0 1
O 1.077099 1.036553 -0.051111
O 2.852804 -2.728171 -0.186509
O 2.908574 -0.381386 -1.675155
O 0.407401 -2.304770 1.544285
O 2.841561 3.390990 0.611472
O -2.143431 -1.680713 0.949553
O -4.434319 1.878539 -0.815522
N -1.043364 0.314057 0.336694
N -3.375719 0.094468 0.046337
N -3.310996 1.407773 -0.437320
C 2.394440 -1.506053 0.467009
C 3.085461 -0.293422 -0.205777
C 0.839080 -1.425143 0.474686
C 2.518638 1.036010 0.313534
C 0.342727 0.034280 0.744144
C 3.149601 2.280887 -0.297913
C -2.127591 -0.499638 0.484050
C -4.644201 -0.650811 0.113944
H 2.719992 -1.589860 1.519355
H 4.174334 -0.367970 -0.048080
H 0.453240 -1.746748 -0.518314
H 2.622355 1.095190 1.417806
H 0.486278 0.247374 1.827740
H 2.738281 2.448406 -1.313223
H 4.245789 2.125035 -0.380824
H -1.208682 1.259447 -0.034089
H 2.898022 -2.519189 -1.160215
H 2.002012 -0.019362 -1.873943
H -0.591941 -2.381710 1.479444
H 3.051803 4.252635 0.173711
H -4.427482 -1.637727 0.544818
H -5.074063 -0.753231 -0.897217
H -5.366603 -0.101642 0.741631


