%chk=000121566.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121566

0 1
 O   -1.752800     -0.6079000      2.1199999E-02
 O   -2.389400       1.906400      0.9821000    
 O   -4.544000     -0.4169000      6.1500002E-02
 O   -5.114800      -3.129500     -3.8999999E-03
 N    2.141400      -1.746100     -0.3063000    
 C    1.949100      -2.215600       1.073100    
 C    2.713000      -2.803000      -1.152400    
 C    3.272200      -2.670800       1.690500    
 C    4.061400      -3.277300     -0.6078000    
 C    3.941900      -3.743300      0.8387000    
 C   0.8764000      -1.270700     -0.8658000    
 C   0.5060000      9.0099998E-02 -0.3387000    
 C  -0.7957000      0.3615000      8.2900003E-02
 C    1.481500       1.085100     -0.2751000    
 C    1.155500       2.351400      0.2102000    
 C   -1.121700       1.627900      0.5682000    
 C  -0.1461000       2.622900      0.6318000    
 C    2.198300       3.415500      0.2776000    
 C   -2.509600     -0.6938000      -1.183800    
 C   -3.891600      -1.264400     -0.8870000    
 C    2.279500       4.242400     -0.9795000    
 C   -3.800200      -2.660400     -0.2850000    
 C   -2.638700       3.225200       1.464300    
 C    2.128300       5.571100      -1.016700    
 H    1.228400      -3.043700       1.107500    
 H    1.548800      -1.413200       1.703800    
 H    2.025200      -3.655500      -1.229700    
 H    2.875400      -2.421500      -2.167900    
 H    3.945700      -1.810100       1.791100    
 H    3.095800      -3.058400       2.700300    
 H    4.444900      -4.094600      -1.228900    
 H    4.790500      -2.459400     -0.6691000    
 H    4.933000      -3.979100       1.241300    
 H    3.349300      -4.665400      0.8785000    
 H   8.8799998E-02  -2.016000     -0.7027000    
 H   0.9625000      -1.152500      -1.954900    
 H    2.495500      0.8886000     -0.6156000    
 H  -0.3410000       3.625500      0.9976000    
 H    2.020100       4.053100       1.153600    
 H    3.180800       2.958200      0.4533000    
 H   -1.977400      -1.328000      -1.901200    
 H   -2.626000      0.3052000      -1.623700    
 H   -4.509700      -1.277500      -1.790500    
 H    2.495600       3.720600      -1.908900    
 H   -3.319800      -3.357400     -0.9788000    
 H   -3.250100      -2.656500      0.6616000    
 H   -2.057000       3.442300       2.366700    
 H   -2.491400       3.976400      0.6807000    
 H   -3.694900       3.268600       1.750000    
 H   -3.980000     -0.3654000      0.8523000    
 H    2.209300       6.107200      -1.955900    
 H    1.921500       6.143200     -0.1192000    
 H   -5.024300      -4.021300      0.3729000    


%chk=000121566-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121566

0 1
O -1.800966 -0.922665 0.073878
O -2.528784 1.627467 0.653669
O -4.425101 0.140038 -0.701386
O -5.924085 -1.948685 0.313297
N 2.322185 -1.990816 -0.334958
C 2.521756 -2.151864 1.130025
C 2.815244 -3.174928 -1.083887
C 4.011878 -2.357044 1.466609
C 4.315601 -3.411830 -0.816404
C 4.585421 -3.569411 0.697798
C 0.917579 -1.661014 -0.670634
C 0.536149 -0.230720 -0.297246
C -0.806801 0.082550 0.016234
C 1.504287 0.803793 -0.277388
C 1.157646 2.129693 0.059555
C -1.166016 1.419111 0.355876
C -0.190885 2.436186 0.377243
C 2.224257 3.226401 0.116347
C -2.465219 -1.291187 -1.211940
C -3.980909 -1.231215 -0.999893
C 1.794727 4.534949 -0.521584
C -4.488752 -2.167354 0.119230
C -2.957915 2.987087 1.004169
C 1.780413 5.738784 0.104631
H 1.931566 -3.025936 1.514244
H 2.134930 -1.248700 1.635322
H 2.244963 -4.099976 -0.800673
H 2.645116 -3.000456 -2.163514
H 4.570229 -1.442550 1.186527
H 4.125119 -2.497215 2.558794
H 4.649460 -4.310820 -1.369506
H 4.886443 -2.546223 -1.205156
H 5.670001 -3.675117 0.889158
H 4.100088 -4.498484 1.062754
H 0.189730 -2.361310 -0.191457
H 0.801375 -1.788508 -1.766899
H 2.538661 0.532535 -0.516597
H -0.455254 3.468337 0.628457
H 2.508629 3.418528 1.170564
H 3.135790 2.853179 -0.391659
H -2.145138 -2.317211 -1.481499
H -2.161553 -0.583663 -2.006617
H -4.487228 -1.499176 -1.947326
H 1.480539 4.469894 -1.574675
H -4.372544 -3.228276 -0.165069
H -3.921303 -1.972818 1.052595
H -2.451021 3.329252 1.924794
H -2.758750 3.692741 0.176253
H -4.041191 2.910446 1.178045
H -3.746723 0.580217 -0.100999
H 1.476422 6.654157 -0.415429
H 2.083015 5.843495 1.154508
H -6.043680 -0.960467 0.256119


