%chk=000128011.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128011

0 1
 O   -5.303100      0.2234000      -1.241200    
 O    4.089400       3.174600     -0.3119000    
 N    3.028800      -1.794200     -8.6000003E-03
 N    3.384800      -2.987300      9.2699997E-02
 N    3.711400      -4.076200      0.1855000    
 C  -0.9369000     -4.8700001E-02  0.8450000    
 C  -0.1364000      0.3289000     -0.4561000    
 C   -2.392100      0.3820000      0.6482000    
 C   -3.046700     -0.3550000     -0.5385000    
 C    1.387300     -3.1800002E-02 -0.3214000    
 C  -0.8217000     -0.2243000      -1.735000    
 C   -2.330400      8.0100000E-02  -1.812600    
 C  -0.3124000      0.5888000       2.099400    
 C   -3.394600      0.2229000       1.785900    
 C    1.874800      0.6887000      0.9425000    
 C    1.183600      0.2916000       2.223400    
 C   -4.466700      0.1480000     -0.3509000    
 C   -4.736000      0.5177000       1.098300    
 C    2.236700      0.4056000      -1.548800    
 C   -3.107800      -1.890000     -0.4299000    
 C    1.607100      -1.560900     -0.1945000    
 C    2.516500       1.896600      -1.593600    
 C    2.747500       1.710000      0.9467000    
 C    3.216800       2.309500     -0.3245000    
 H  -0.9073000      -1.133700      0.9900000    
 H  -0.1982000       1.425200     -0.5461000    
 H   -2.373100       1.462700      0.4237000    
 H  -0.6763000      -1.306700      -1.805700    
 H  -0.3575000      0.2105000      -2.626400    
 H   -2.473200       1.156100      -1.978300    
 H   -2.761700     -0.4178000      -2.689600    
 H  -0.8209000      0.2217000       2.998800    
 H  -0.4642000       1.676200       2.073500    
 H   -3.213000      0.9222000       2.608000    
 H   -3.378600     -0.7907000       2.200800    
 H    1.352300     -0.7674000       2.444000    
 H    1.582400      0.8450000       3.082400    
 H   -4.979900       1.582700       1.151500    
 H   -5.543300     -8.8500001E-02   1.514600    
 H    1.766700      9.2699997E-02  -2.486500    
 H    3.219900     -8.2199998E-02  -1.554600    
 H   -3.626600      -2.310200      -1.300200    
 H   -2.118600      -2.353100     -0.3876000    
 H   -3.665200      -2.224900      0.4515000    
 H    1.276100      -2.068700      -1.108700    
 H    1.046100      -2.003700      0.6342000    
 H    1.600300       2.484600      -1.705000    
 H    3.171800       2.119200      -2.443000    
 H    3.055100       2.202400       1.862900    


%chk=000128011-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000128011

0 1
O -5.343618 0.386647 -1.312315
O 3.921617 3.443477 -0.330116
N 3.046242 -1.857034 0.139644
N 3.424584 -3.055802 0.277478
N 3.962437 -4.101266 0.453701
C -0.910424 -0.098782 0.852360
C -0.127064 0.283715 -0.458778
C -2.368546 0.371153 0.672453
C -3.064819 -0.295620 -0.551988
C 1.423048 -0.050314 -0.348285
C -0.815843 -0.289076 -1.734209
C -2.317156 0.099872 -1.840794
C -0.260639 0.511101 2.118948
C -3.401945 0.225935 1.822023
C 1.908341 0.656976 0.926220
C 1.263887 0.199425 2.216143
C -4.505880 0.230209 -0.393214
C -4.749612 0.529672 1.104485
C 2.254949 0.421591 -1.577810
C -3.197395 -1.849311 -0.439564
C 1.614566 -1.591135 -0.232950
C 2.486263 1.943847 -1.635387
C 2.714362 1.765670 0.895257
C 3.132927 2.450089 -0.345523
H -0.910672 -1.203384 0.970031
H -0.188065 1.392752 -0.531906
H -2.317516 1.461250 0.439412
H -0.723182 -1.392637 -1.756219
H -0.296829 0.083244 -2.636542
H -2.405548 1.194277 -1.993137
H -2.773826 -0.382177 -2.725057
H -0.774641 0.133162 3.023260
H -0.393808 1.612242 2.104008
H -3.210464 0.922402 2.656053
H -3.394401 -0.798517 2.239504
H 1.410810 -0.884466 2.386381
H 1.703078 0.728297 3.080488
H -5.028104 1.597552 1.195587
H -5.612004 -0.050459 1.478955
H 1.782395 0.072025 -2.513949
H 3.241164 -0.077589 -1.514584
H -3.779947 -2.225267 -1.299597
H -2.213372 -2.348464 -0.451066
H -3.718086 -2.163477 0.482512
H 1.386561 -2.062458 -1.209764
H 0.943985 -2.032989 0.527431
H 1.527140 2.486059 -1.768291
H 3.129709 2.222082 -2.488151
H 3.038342 2.239101 1.831159


