%chk=000129259.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000129259

0 1
 O   -4.714600     -0.9885000      0.5121000    
 O   -3.083400       1.365400     -0.4004000    
 O   -2.702400      -2.236300       1.971500    
 O   -1.114500      -2.988900      -1.195500    
 O    1.977800      -2.838300     -0.1474000    
 O    2.302700       2.550700      0.2093000    
 O   -5.184500       1.443800      0.5568000    
 O    4.858900       2.468200      2.7899999E-02
 N  -0.2752000       1.118800      0.2887000    
 N  -0.8426000       3.556100      0.5312000    
 C   -3.390200      -1.037400     -4.1200001E-02
 C   -2.666400      0.2654000      0.4023000    
 C   -2.676300      -2.298100      0.5394000    
 C   -1.192600      -2.426600      0.1117000    
 C   -1.190100      0.1004000      0.2664000    
 C  -0.5055000      -1.097300      0.1487000    
 C   0.8760000     -0.7771000      7.4400000E-02
 C   -3.559800      -1.133000      -1.565900    
 C   0.9862000      0.5968000      0.1626000    
 C    2.045300      -1.619000     -6.4300001E-02
 C    2.222800       1.331000      0.1295000    
 C    3.361100     -0.9129000     -0.1038000    
 C    3.448700      0.4918000     -1.2400000E-02
 C  -0.5809000       2.430800      0.4192000    
 C   -4.421700       1.642700     -0.3791000    
 C    4.700100       1.116700     -5.4099999E-02
 C    4.529400      -1.672500     -0.2357000    
 C    5.857600      0.3489000     -0.1860000    
 C    5.772600      -1.039800     -0.2764000    
 C   -4.838700       2.238500      -1.689500    
 H   -2.891100      0.5023000       1.451400    
 H   -3.238200      -3.197700      0.2630000    
 H  -0.6718000      -3.107700      0.7960000    
 H   -4.347600     -0.4770000      -1.943100    
 H   -2.632800     -0.9177000      -2.105200    
 H   -3.881100      -2.144000      -1.844700    
 H   -4.632400      -1.002900       1.481200    
 H   -2.119200      -1.519200       2.269200    
 H   -1.548500      -3.858600      -1.167000    
 H    4.493800      -2.756200     -0.3085000    
 H    6.837800      0.8178000     -0.2203000    
 H    6.677600      -1.632000     -0.3789000    
 H   -4.205200       1.873200      -2.502600    
 H   -4.768900       3.327100      -1.631400    
 H   -5.867900       1.941100      -1.908900    
 H    5.804500       2.689800     -2.1000000E-02


%chk=000129259-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000129259

0 1
O -4.850054 -1.376816 0.024031
O -3.330859 1.109910 -0.684007
O -3.153407 -2.361785 1.974566
O -0.828119 -3.436256 -0.677056
O 1.935045 -2.895106 -0.012513
O 2.042821 2.653323 -0.268182
O -4.677430 1.908072 1.057768
O 4.729300 2.551976 -0.332996
N -0.456427 1.095218 0.019725
N -1.230890 3.527938 -0.155774
C -3.414725 -1.353466 -0.265514
C -2.845434 0.037009 0.204755
C -2.726092 -2.488437 0.556218
C -1.180602 -2.553828 0.441459
C -1.348440 -0.009165 0.167677
C -0.589117 -1.174355 0.259452
C 0.792037 -0.795461 0.127914
C -3.276469 -1.570824 -1.775778
C 0.864503 0.596137 -0.009999
C 1.993861 -1.615660 0.026172
C 2.093447 1.387223 -0.157967
C 3.296846 -0.875213 -0.074696
C 3.349082 0.562611 -0.157581
C -0.829949 2.405247 -0.081819
C -4.288458 1.998586 -0.122798
C 4.639579 1.168779 -0.253258
C 4.473665 -1.653569 -0.093516
C 5.817682 0.371448 -0.265811
C 5.735504 -1.028569 -0.187808
C -4.674901 3.038490 -1.140530
H -3.238650 0.256674 1.221129
H -3.139849 -3.454538 0.229050
H -0.800270 -3.002239 1.385601
H -3.797107 -0.761809 -2.312260
H -2.222042 -1.603374 -2.093290
H -3.746033 -2.531488 -2.042938
H -4.948851 -1.517978 1.005480
H -2.558047 -1.732632 2.457527
H 0.162597 -3.577602 -0.616710
H 4.375799 -2.741129 -0.035149
H 6.797243 0.861699 -0.339581
H 6.650280 -1.628955 -0.200255
H -4.872750 2.572073 -2.118986
H -3.832011 3.743175 -1.265664
H -5.559168 3.590242 -0.791309
H 5.675660 2.843025 -0.395578


