%chk=000144421.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000144421

0 1
 O  -8.0700003E-02   1.554100       1.970200    
 O   0.4415000      0.6218000      -2.525300    
 O    2.857400       1.151100       1.378600    
 O    2.643700      -2.986400     -0.6675000    
 O   -6.138000     -0.7917000      0.3574000    
 N   0.1582000      0.7291000     -0.2051000    
 N    2.404800     -0.9616000      0.4794000    
 N   -1.309600     -0.8954000      0.7083000    
 C  -7.8999996E-03 -0.6765000      7.7200003E-02
 C    1.087900      -1.173200       1.022500    
 C   0.3161000       3.038700      0.1145000    
 C   0.4845000       2.731300      -1.364100    
 C   0.1053000       1.704800      0.7706000    
 C   0.3654000       1.238300      -1.471400    
 C   -2.427400     -0.5147000     -0.1440000    
 C    4.467300      2.5599999E-02 -1.4700000E-02
 C    4.396700      -1.333600     -0.6907000    
 C    3.159400      0.1736000      0.7080000    
 C    3.054300      -1.889800     -0.3134000    
 C   -3.750600     -0.8298000      0.5460000    
 C   -4.939700     -0.4623000     -0.3313000    
 C   -7.288500     -0.4534000     -0.4054000    
 H   4.9400002E-02  -1.245000     -0.8594000    
 H   0.9562000      -2.248800       1.196100    
 H    1.039800     -0.6817000       2.000900    
 H   -1.359200     -0.3938000       1.594200    
 H    1.208800       3.517600      0.5272000    
 H  -0.5532000       3.678600      0.2919000    
 H  -0.2974000       3.208100      -1.962300    
 H    1.465400       3.050200      -1.728400    
 H   -2.377100      -1.065500      -1.091000    
 H   -2.404800      0.5558000     -0.3777000    
 H    5.292600      7.2499998E-02  0.7016000    
 H    4.576700      0.8305000     -0.7475000    
 H    4.465700      -1.242200      -1.778600    
 H    5.187100      -1.999200     -0.3317000    
 H   -3.825500     -0.2907000       1.499400    
 H   -3.805900      -1.896400      0.7998000    
 H   -4.897200      -1.017400      -1.275700    
 H   -4.926100      0.6116000     -0.5515000    
 H   -7.298400      -1.005400      -1.350300    
 H   -8.176300     -0.7302000      0.1695000    
 H   -7.318700      0.6235000     -0.5973000    


%chk=000144421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000144421

0 1
O -0.487002 1.936409 1.959834
O 1.218310 0.770928 -2.246129
O 3.082995 1.201317 1.215741
O 2.130439 -3.036072 -0.547271
O -6.245752 -1.100983 0.384904
N 0.242778 1.069966 -0.114382
N 2.342777 -0.926436 0.491404
N -1.393160 -0.605730 0.731083
C -0.077165 -0.387964 0.180890
C 1.018814 -0.941930 1.131359
C 0.609033 3.397892 0.248504
C 1.037936 3.039535 -1.194030
C 0.047684 2.101308 0.833967
C 0.868579 1.519164 -1.298215
C -2.540206 -0.445694 -0.188112
C 4.503312 -0.249244 -0.246488
C 4.162447 -1.612890 -0.892343
C 3.269007 0.136529 0.574654
C 2.788720 -1.992153 -0.337934
C -3.846980 -0.863844 0.513498
C -5.069263 -0.709875 -0.396951
C -7.481364 -1.004337 -0.387772
H 0.007013 -0.896378 -0.797262
H 0.760383 -1.988372 1.361029
H 1.065428 -0.347629 2.059859
H -1.527129 -0.118263 1.627591
H 1.467010 3.697607 0.874984
H -0.146606 4.198176 0.308970
H 0.407852 3.521336 -1.962751
H 2.084828 3.302298 -1.417782
H -2.363095 -1.090233 -1.071613
H -2.641924 0.601922 -0.564957
H 5.378260 -0.294603 0.425183
H 4.702202 0.544020 -0.986426
H 4.088116 -1.555787 -1.992009
H 4.886350 -2.409894 -0.653748
H -4.005968 -0.244914 1.418245
H -3.766578 -1.914020 0.846005
H -4.975424 -1.359465 -1.297961
H -5.175543 0.344483 -0.744048
H -7.462408 -1.673554 -1.275156
H -8.294127 -1.316585 0.286656
H -7.668577 0.036063 -0.732020


