%chk=000026169.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026169

0 1
 O   -1.522500      0.3817000      0.4194000    
 O   -1.473100      -1.772700     -0.3921000    
 N    2.110700       2.690900      0.1630000    
 N   0.5470000     -0.6859000      0.2512000    
 C    1.535700       1.458200     -0.3744000    
 C    1.140800      0.5213000      0.7577000    
 C    3.289600       2.393100      0.9757000    
 C    2.456200       3.608800     -0.9217000    
 C    1.413500      -1.841700      2.3600001E-02
 C    3.864700       3.656900       1.592400    
 C    1.242200       3.929500      -1.777100    
 C  -0.8624000     -0.7946000      3.4600001E-02
 C   0.8789000      -3.079200      0.2232000    
 C    2.694800      -1.601000     -0.3728000    
 C    1.705100      -4.181700      5.7999999E-03
 C    3.520800      -2.703700     -0.5904000    
 C    3.025900      -3.994100     -0.4011000    
 C   -2.910200      0.3587000      0.2395000    
 C   -3.701000     -9.4400004E-02   1.270400    
 C   -3.425900      0.7897000     -0.9613000    
 C   -5.084000     -0.1180000       1.090500    
 C   -4.808900      0.7661000      -1.141000    
 C   -5.638000      0.3123000     -0.1150000    
 H    2.200500       1.004800      -1.113800    
 H   0.6051000       1.677600     -0.9105000    
 H   0.4379000       1.028200       1.430100    
 H    1.974100      0.2140000       1.395500    
 H    3.037100       1.771900       1.838100    
 H    4.065100       1.870100      0.4023000    
 H    2.796300       4.568900     -0.5201000    
 H    3.259000       3.212200      -1.556100    
 H    4.401600       4.271400      0.8632000    
 H    3.089100       4.265900       2.069500    
 H    4.591700       3.389500       2.367900    
 H   0.9712000       3.107000      -2.446300    
 H   0.3724000       4.197200      -1.167300    
 H    1.464900       4.789500      -2.419200    
 H  -0.1140000      -3.272700      0.6079000    
 H    3.141500     -0.6295000     -0.5130000    
 H    1.325800      -5.186300      0.1696000    
 H    4.551500      -2.558500     -0.9010000    
 H    3.670700      -4.852500     -0.5652000    
 H   -3.269200     -0.4286000       2.208500    
 H   -2.779900       1.143200      -1.758700    
 H   -5.729500     -0.4713000       1.889400    
 H   -5.240300       1.101200      -2.079700    
 H   -6.714800      0.2940000     -0.2550000    


%chk=000026169-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000026169

0 1
O -1.336416 0.094012 0.068055
O -1.249375 -2.161915 -0.640983
N 2.027907 2.563346 0.192440
N 0.660929 -1.018856 0.172870
C 1.443590 1.339238 -0.402041
C 1.189909 0.277040 0.696498
C 3.510679 2.502100 0.303269
C 1.530584 3.821077 -0.427363
C 1.566415 -2.137928 0.032544
C 4.071311 3.384380 1.435065
C 0.091315 4.167765 -0.001039
C -0.680196 -1.144448 -0.179692
C 1.136870 -3.474730 0.245757
C 2.929470 -1.892089 -0.281839
C 2.060669 -4.535887 0.144035
C 3.845847 -2.961326 -0.373656
C 3.418949 -4.291130 -0.162273
C -2.714323 0.325130 -0.223122
C -3.254188 1.435696 0.465047
C -3.484073 -0.407512 -1.156152
C -4.589358 1.819870 0.221467
C -4.821316 -0.006738 -1.383666
C -5.380182 1.099271 -0.704667
H 2.089019 0.912771 -1.207926
H 0.474736 1.585723 -0.866858
H 0.472250 0.696314 1.417666
H 2.122054 0.053769 1.241733
H 3.790029 1.451364 0.511315
H 4.002358 2.770764 -0.666408
H 2.198718 4.641117 -0.107337
H 1.595310 3.778137 -1.543881
H 3.846700 4.454191 1.274389
H 3.630018 3.086634 2.402020
H 5.170689 3.280228 1.497807
H -0.625886 3.379847 -0.294125
H 0.039705 4.285888 1.095584
H -0.235525 5.111385 -0.476675
H 0.089941 -3.681139 0.473379
H 3.276375 -0.873112 -0.478249
H 1.712853 -5.561171 0.312282
H 4.892351 -2.751309 -0.621555
H 4.129733 -5.120889 -0.237347
H -2.624988 1.977132 1.178485
H -3.060374 -1.270921 -1.669550
H -5.009140 2.679304 0.755414
H -5.426875 -0.571157 -2.101469
H -6.417366 1.396162 -0.893045


