%chk=000004642.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004642

0 1
 O   -2.761600      0.1546000       1.642900    
 O   0.7244000     -2.9800000E-02  0.8090000    
 O  -0.4095000     -0.3332000       2.792300    
 N    3.508100      -1.268200     -0.1868000    
 N    3.526900       1.090400      0.2815000    
 C   -1.855300      -1.046500     -0.1961000    
 C   -3.161700     -0.8904000     -0.9860000    
 C   -1.845300      -2.365400      0.5885000    
 C   -1.647100      0.1409000      0.7422000    
 C   -3.419200      -2.091800      -1.892700    
 C   -2.104700      -3.564300     -0.3210000    
 C   -3.399700      -3.401600      -1.110900    
 C   -1.595100       1.520800      9.2600003E-02
 C  -0.3958000     -0.1069000       1.588400    
 C   -2.129500       2.594000      0.7719000    
 C   -1.015700       1.646500      -1.151300    
 C    1.966000     -0.2359000       1.489700    
 C   -2.082300       3.855100      0.1778000    
 C  -0.9683000       2.907600      -1.745300    
 C    3.074000     -0.1109000      0.4606000    
 C    4.592100      -1.190900      -1.161500    
 C    5.457100      2.0800000E-02 -0.8480000    
 C   -1.501600       4.012000      -1.080800    
 C    4.579300       1.258000     -0.7270000    
 C    2.864600      -2.564700     -3.0200001E-02
 H   -1.028900      -1.115000     -0.9158000    
 H   -3.154200      8.7000001E-03  -1.609800    
 H   -4.020400     -0.7987000     -0.3103000    
 H  -0.8799000      -2.529600       1.079900    
 H   -2.608200      -2.354800       1.376700    
 H   -4.387800      -1.976400      -2.392300    
 H   -2.656000      -2.124600      -2.680000    
 H   -2.152800      -4.479500      0.2799000    
 H   -1.264900      -3.683200      -1.016800    
 H   -4.252900      -3.428100     -0.4219000    
 H   -3.519500      -4.244700      -1.800400    
 H   -3.530600      0.5645000       1.212500    
 H   -2.563700       2.514700       1.763300    
 H  -0.5746000      0.8143000      -1.687500    
 H    2.094800      0.5446000       2.249200    
 H    1.979200      -1.212000       1.982000    
 H   -2.491400       4.716600      0.6977000    
 H  -0.5118000       3.031000      -2.723100    
 H    5.210700      -2.095100      -1.129700    
 H    4.167600      -1.107500      -2.168700    
 H    5.992200     -0.1422000      9.6199997E-02
 H    6.209300      0.1623000      -1.631300    
 H   -1.462300       4.994400      -1.542100    
 H    4.118100       1.504400      -1.690500    
 H    5.202100       2.111800     -0.4393000    
 H    3.226900      -3.286100     -0.7709000    
 H    3.073700      -2.976400      0.9620000    
 H    1.781400      -2.482500     -0.1663000    


%chk=000004642-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000004642

0 1
O -2.727779 -0.017868 1.882774
O 0.710872 0.071425 0.741643
O -0.216961 0.342461 2.864342
N 3.344999 -1.391521 0.006135
N 3.777354 0.989022 -0.207858
C -1.761942 -0.934931 -0.220346
C -3.088461 -0.895325 -1.025072
C -1.569901 -2.333196 0.420425
C -1.700077 0.205785 0.854488
C -3.128649 -2.010548 -2.098025
C -1.612254 -3.454049 -0.645307
C -2.921691 -3.407059 -1.467226
C -1.833323 1.627722 0.248725
C -0.362171 0.196475 1.637507
C -2.613474 2.600191 0.922524
C -1.157168 1.994828 -0.943157
C 2.071468 0.310534 1.334031
C -2.746274 3.904810 0.395382
C -1.288956 3.298441 -1.467604
C 3.120797 -0.040034 0.300478
C 4.409583 -1.758695 -0.954730
C 5.510153 -0.680858 -0.986984
C -2.090304 4.257680 -0.805161
C 4.859895 0.707002 -1.184290
C 2.533578 -2.507748 0.505492
H -0.925686 -0.767597 -0.926482
H -3.222576 0.094108 -1.500323
H -3.950450 -1.050024 -0.338487
H -0.607505 -2.373154 0.965860
H -2.365142 -2.497281 1.173786
H -4.091483 -1.972378 -2.643172
H -2.329565 -1.824499 -2.845488
H -1.503180 -4.441566 -0.156099
H -0.748065 -3.339823 -1.333982
H -3.778534 -3.636437 -0.800177
H -2.909617 -4.185923 -2.254135
H -3.607228 0.015813 1.425214
H -3.092892 2.332056 1.869337
H -0.507612 1.274397 -1.450277
H 2.165557 1.384067 1.554219
H 2.154917 -0.269357 2.270663
H -3.352964 4.645772 0.928195
H -0.758350 3.568042 -2.387646
H 4.832257 -2.734347 -0.644704
H 3.976007 -1.897919 -1.969177
H 6.059796 -0.693009 -0.026965
H 6.231913 -0.904299 -1.793901
H -2.189948 5.269873 -1.212972
H 4.441067 0.785452 -2.210286
H 5.614566 1.508746 -1.091110
H 2.092909 -3.077640 -0.338799
H 3.147587 -3.208547 1.107046
H 1.701107 -2.147969 1.124178


