%chk=000128438.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000128438

0 1
 O    3.275900       2.265500     -0.2872000    
 O   0.5622000       2.667000     -0.2409000    
 O   -4.672000       1.380800     -2.3200000E-02
 O    1.967700      -3.572200      0.1097000    
 N  -0.2789000      -1.895700      6.3900001E-02
 C   0.1964000      0.2779000     -8.3300002E-02
 C   0.7585000     -0.9972000     -1.9200001E-02
 C   -1.225400      0.1208000     -3.6100000E-02
 C   -1.490500      -1.245700      5.5599999E-02
 C    2.140600      -1.217300     -4.1999999E-02
 C    1.058000       1.391100     -0.1750000    
 C    2.973500     -9.8999999E-02 -0.1332000    
 C    2.442400       1.187000     -0.1989000    
 C   -2.313300       1.018500     -6.3100003E-02
 C   -2.789600      -1.762200      0.1220000    
 C   -3.618300      0.5172000      2.3000001E-03
 C    4.460100     -0.2805000     -0.1592000    
 C   -3.850500     -0.8531000      9.3599997E-02
 C    2.679000      -2.567300      2.8300000E-02
 C    3.702000       2.852700      0.9389000    
 C   -5.977600      0.8118000      4.7200002E-02
 H  -0.1690000      -2.898500      0.1231000    
 H   -2.173300       2.092500     -0.1219000    
 H   -2.970100      -2.829800      0.1930000    
 H    4.751100     -0.9501000     -0.9761000    
 H    5.011700      0.6481000     -0.3324000    
 H    4.810500     -0.6890000      0.7946000    
 H   -4.841500      -1.292400      0.1470000    
 H    3.771400      -2.696600      1.6200000E-02
 H  -0.3626000       2.638200     -0.5238000    
 H    4.178100       2.111600       1.588600    
 H    2.853300       3.310500       1.456900    
 H    4.431600       3.634000      0.7087000    
 H   -6.188100      0.1763000     -0.8198000    
 H   -6.692800       1.640400      1.5000000E-02
 H   -6.139300      0.2889000      0.9961000    


%chk=000128438-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000128438

0 1
O 3.452370 2.174965 -0.238109
O 0.708828 2.648984 -0.190483
O -4.628101 1.447781 0.064593
O 1.868059 -3.743124 -0.014738
N -0.235914 -2.012010 0.009334
C 0.246692 0.231265 -0.039850
C 0.798279 -1.089096 -0.026393
C -1.207739 0.085937 -0.006844
C -1.467371 -1.334239 0.019762
C 2.198418 -1.351440 -0.054035
C 1.140745 1.322433 -0.107051
C 3.087643 -0.223170 -0.081670
C 2.553922 1.094056 -0.104534
C -2.296375 0.985501 0.014688
C -2.776264 -1.843566 0.055164
C -3.613703 0.470294 0.047691
C 4.594774 -0.407817 -0.112423
C -3.855932 -0.932522 0.066209
C 2.658538 -2.734843 -0.048520
C 3.434858 3.185132 0.842576
C -6.015371 0.983912 0.100969
H -0.025573 -3.017511 0.019435
H -2.192009 2.076740 0.021238
H -2.964664 -2.921649 0.074509
H 4.916800 -0.950162 -1.020726
H 5.090368 0.573710 -0.113870
H 4.952954 -0.984312 0.760350
H -4.877967 -1.320289 0.092495
H 3.756277 -2.906855 -0.075896
H -0.273145 2.692911 -0.301058
H 3.632892 2.709261 1.822941
H 2.469193 3.716903 0.866294
H 4.248303 3.883621 0.593318
H -6.263522 0.379388 -0.793542
H -6.624005 1.900074 0.107839
H -6.221058 0.393936 1.015738


