%chk=000015639.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000015639

0 1
 O    3.165800       1.162700     -0.1361000    
 O    3.226100      -1.712500      4.7499999E-02
 O   -5.267000      0.3434000      0.2439000    
 O   -7.543400      -1.156800     -0.3860000    
 N  -0.4254000      0.4366000      0.2715000    
 C    2.030300      0.3842000      0.2661000    
 C   0.7780000       1.150700     -0.1334000    
 C    2.081000     -0.9825000     -0.4042000    
 C   -1.622100       1.167800     -0.1217000    
 C   -2.872500      0.3907000      0.2775000    
 C    4.332100      0.4474000     -6.7500003E-02
 C    4.361100     -0.9453000      3.2400001E-02
 C   -4.141500       1.120900     -0.1408000    
 C    5.524700       1.169800     -0.1119000    
 C    5.581800      -1.613300      0.1325000    
 C    6.745400      0.5000000     -2.5699999E-02
 C    6.773700     -0.8891000      0.1019000    
 C   -6.487000      0.9749000     -0.1209000    
 C   -7.645900      8.8699996E-02  0.2932000    
 C   -8.595200      -2.038300     -1.8300001E-02
 H    2.070100      0.2781000       1.359600    
 H   0.7837000       1.313300      -1.219200    
 H   0.8085000       2.147000      0.3265000    
 H    2.133700     -0.8995000      -1.497600    
 H    1.205500      -1.589800     -0.1547000    
 H   -1.638200       2.155000      0.3559000    
 H   -1.627900       1.319900      -1.207900    
 H  -0.4213000      0.2956000       1.281300    
 H   -2.864700     -0.6081000     -0.1781000    
 H   -2.892800      0.2245000       1.362500    
 H   -4.188900       2.101600      0.3471000    
 H   -4.150400       1.265600      -1.227500    
 H    5.511400       2.252600     -0.2023000    
 H    5.613200      -2.695700      0.2233000    
 H    7.675000       1.061000     -5.3399999E-02
 H    7.725400      -1.407700      0.1730000    
 H   -6.565500       1.948300      0.3757000    
 H   -6.502600       1.119100      -1.207500    
 H   -7.605900     -9.1700003E-02   1.373700    
 H   -8.595700      0.5726000      4.0600002E-02
 H   -8.469700      -2.973400     -0.5708000    
 H   -9.566500      -1.606700     -0.2787000    
 H   -8.555100      -2.258200       1.053000    


%chk=000015639-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000015639

0 1
O 3.248333 1.173036 -0.091950
O 3.221033 -1.752754 0.011277
O -5.317133 0.463984 0.400187
O -7.758890 -1.101778 -0.556975
N -0.424125 0.677296 0.319840
C 2.026212 0.397916 0.246392
C 0.836611 1.271629 -0.171632
C 2.068018 -0.958417 -0.466908
C -1.654399 1.289979 -0.230266
C -2.906789 0.596479 0.339499
C 4.439085 0.409855 -0.029097
C 4.425392 -1.012032 0.037851
C -4.205315 1.213839 -0.189649
C 5.666745 1.102926 -0.028718
C 5.638514 -1.723514 0.135566
C 6.880502 0.386970 0.055953
C 6.865906 -1.026480 0.149070
C -6.625651 0.967148 -0.030225
C -7.691105 -0.018850 0.426898
C -8.635679 -2.186053 -0.125433
H 2.022163 0.227127 1.344449
H 0.793178 1.320185 -1.276697
H 1.025831 2.310568 0.189113
H 2.155738 -0.808665 -1.561720
H 1.169269 -1.547937 -0.235517
H -1.711886 2.390699 -0.029739
H -1.629958 1.169305 -1.331756
H -0.454056 0.653463 1.349770
H -2.882800 -0.477196 0.081449
H -2.910366 0.665541 1.445835
H -4.274036 2.291382 0.090181
H -4.249462 1.145644 -1.300734
H 5.648592 2.195989 -0.086114
H 5.597837 -2.816057 0.189473
H 7.830903 0.930680 0.056268
H 7.804939 -1.584597 0.223817
H -6.808976 1.969857 0.417971
H -6.670099 1.060667 -1.136863
H -7.420083 -0.410708 1.431534
H -8.679344 0.490306 0.499029
H -8.612490 -2.939744 -0.928192
H -9.682038 -1.837968 0.020443
H -8.278825 -2.646320 0.820820


