%chk=000049447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049447

0 1
 O  -0.1354000      -1.166000     -0.4209000    
 O   0.7628000       3.506600     -0.3052000    
 O   -4.085100     -0.5644000      0.3812000    
 N    2.268200     -0.2333000      0.1480000    
 C    1.744500      0.8681000     -0.6591000    
 C   0.3068000       1.153300     -0.3628000    
 C    2.166300      8.2999997E-02   1.572200    
 C    3.656300     -0.5175000     -0.2144000    
 C  -0.6118000      0.1094000     -0.2493000    
 C   -1.950000      0.3865000      2.7400000E-02
 C  -0.1180000       2.472100     -0.1987000    
 C    2.702900      -1.043700       2.430600    
 C    3.780300     -0.9079000      -1.672700    
 C   -2.379300       1.705500      0.1924000    
 C   -1.458000       2.747300      7.8299999E-02
 C   -2.897600     -0.7331000      0.1415000    
 C   -1.026400      -2.221800     -0.3145000    
 C   -2.334400      -2.083200     -5.2499998E-02
 C  -0.3920000      -3.560900     -0.5215000    
 H    1.767500      0.6288000      -1.728500    
 H    2.372700       1.757200     -0.5228000    
 H    2.702800       1.009000       1.817800    
 H    1.125000      0.2295000       1.877900    
 H    4.319000      0.3302000      1.2000001E-03
 H    4.033900      -1.379500      0.3449000    
 H    2.303700      -2.016300       2.122200    
 H    3.796300      -1.089000       2.432000    
 H    2.400300     -0.8858000       3.472200    
 H    3.038800      -1.663000      -1.956200    
 H    3.688900     -5.0099999E-02  -2.346100    
 H    4.770700      -1.340600      -1.854900    
 H   -3.418000       1.938700      0.4083000    
 H   -1.798800       3.771200      0.2079000    
 H   -3.005800      -2.930400      2.4499999E-02
 H   -1.113200      -4.379600     -0.4314000    
 H   0.3962000      -3.723100      0.2210000    
 H   5.7000000E-02  -3.615500      -1.518400    
 H   0.2890000       4.343600     -0.1609000    


%chk=000049447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049447

0 1
O -0.269348 -1.199370 -0.866343
O 0.770917 3.341840 0.275712
O -4.266154 -0.780654 0.290705
N 2.470705 0.012277 0.337231
C 1.709738 0.807627 -0.674253
C 0.268030 1.054709 -0.262181
C 2.758872 0.798434 1.568759
C 3.689416 -0.598145 -0.260614
C -0.711346 0.033010 -0.344771
C -2.066164 0.212523 0.042315
C -0.182901 2.311028 0.208052
C 3.073092 -0.090123 2.787009
C 3.386361 -1.842054 -1.118350
C -2.459678 1.487979 0.521159
C -1.533992 2.534321 0.599106
C -3.043226 -0.903859 -0.055536
C -1.169744 -2.270053 -0.964465
C -2.483737 -2.154031 -0.582823
C -0.494717 -3.489551 -1.519939
H 1.707113 0.228065 -1.613229
H 2.200898 1.786299 -0.879709
H 3.590917 1.530421 1.402933
H 1.861210 1.399941 1.795030
H 4.264029 0.149142 -0.867054
H 4.353284 -0.901698 0.568348
H 2.238804 -0.789923 2.968691
H 3.994298 -0.684832 2.648505
H 3.214691 0.534423 3.688941
H 2.866848 -2.600885 -0.507516
H 2.740583 -1.604898 -1.982898
H 4.325102 -2.278102 -1.508974
H -3.505457 1.616556 0.817622
H -1.843342 3.522826 0.961857
H -3.149958 -3.015260 -0.674185
H -1.207274 -4.325393 -1.594607
H 0.348673 -3.792953 -0.873189
H -0.079221 -3.283779 -2.523367
H 0.358779 4.179442 0.602729


