%chk=000055761.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055761

0 1
 O   -1.012600       3.557000     -0.8098000    
 O   -2.534300       2.994600      0.8349000    
 N   0.2077000      -1.183800     -0.5889000    
 N   -1.965800      0.4198000      0.6320000    
 C   0.8190000     -0.2078000      0.3062000    
 C   0.3030000       1.213600      3.4699999E-02
 C   -1.199400       1.298900     -0.2313000    
 C    2.335200     -0.2740000      0.2073000    
 C   -1.076200      -1.674900     -0.3434000    
 C   -2.079000     -0.9393000      0.3308000    
 C   -1.676900       2.697400      1.4100000E-02
 C    2.937500     -0.5606000      -1.015000    
 C    3.113700     -4.7600001E-02   1.339400    
 C   -1.350200      -3.004900     -0.7206000    
 C   -3.292200      -1.581500      0.6498000    
 C   -2.565800      -3.613800     -0.4125000    
 C   -3.533700      -2.904700      0.2841000    
 C    4.328100     -0.6211000      -1.105900    
 C    4.504300     -0.1081000       1.248400    
 C    5.111500     -0.3949000      2.5699999E-02
 C   -1.373800       4.935800     -0.6800000    
 H   0.5610000     -0.4892000       1.337600    
 H   0.5814000       1.851600      0.8857000    
 H   0.8271000       1.643200     -0.8308000    
 H   -1.426400       1.068300      -1.281000    
 H   0.7982000      -1.785800      -1.152000    
 H   -2.660700      0.8213000       1.252600    
 H    2.363800     -0.7037000      -1.925800    
 H    2.652800      0.1794000       2.296800    
 H  -0.5947000      -3.590600      -1.241600    
 H   -4.077100      -1.034800       1.169600    
 H   -2.748300      -4.643300     -0.7059000    
 H   -4.480900      -3.373700      0.5329000    
 H    4.801700     -0.8354000      -2.059600    
 H    5.114500      6.9200002E-02   2.129200    
 H    6.194200     -0.4397000     -4.5499999E-02
 H   -1.156900       5.290100      0.3323000    
 H   -2.432400       5.074100     -0.9200000    
 H  -0.7746000       5.512400      -1.389600    


%chk=000055761-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055761

0 1
O -1.063389 3.603295 -0.966504
O -2.664858 3.087402 0.643957
N 0.180319 -1.096923 -0.605640
N -1.930808 0.445069 0.679365
C 0.837923 -0.157714 0.352726
C 0.362155 1.304584 0.109486
C -1.160358 1.320223 -0.211884
C 2.354963 -0.277412 0.233051
C -1.077926 -1.682304 -0.280672
C -2.107827 -0.924735 0.376318
C -1.726916 2.733794 -0.110652
C 2.999739 -0.060576 -1.014253
C 3.145004 -0.607361 1.361171
C -1.332395 -3.038322 -0.610235
C -3.316549 -1.578591 0.731274
C -2.552397 -3.666785 -0.276808
C -3.541583 -2.937196 0.420471
C 4.402098 -0.178913 -1.128264
C 4.550521 -0.715566 1.252259
C 5.183196 -0.503890 0.006056
C -1.528529 5.013427 -0.942159
H 0.544745 -0.437794 1.384943
H 0.575887 1.902917 1.015236
H 0.908300 1.761696 -0.734116
H -1.275024 0.993408 -1.266530
H 0.832672 -1.747467 -1.051842
H -2.690927 0.915758 1.179861
H 2.401910 0.201870 -1.895707
H 2.656300 -0.782450 2.327359
H -0.543936 -3.613171 -1.114265
H -4.097830 -0.996789 1.237150
H -2.716253 -4.716552 -0.542230
H -4.487032 -3.411470 0.704602
H 4.887177 -0.012780 -2.096882
H 5.148376 -0.968518 2.135052
H 6.272013 -0.590672 -0.081191
H -1.410141 5.435476 0.069647
H -2.589605 5.067763 -1.237412
H -0.886214 5.530770 -1.667835


