%chk=000049170.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049170

0 1
 O  -0.9604000     -0.5902000     -1.6400000E-02
 O    1.850600     -0.3746000       2.336100    
 O    1.924700     -0.2584000      -2.357700    
 O   1.5400000E-02   3.152700      4.5699999E-02
 N   0.8473000       1.338800       1.187200    
 N   0.8837000       1.396600      -1.157500    
 C    1.428400     -0.7121000     -2.7799999E-02
 C    2.613000      -1.689300     -3.3300001E-02
 C   0.1120000      -1.508500     -6.8099998E-02
 C    1.429700      8.3099999E-02   1.274000    
 C    1.469800      0.1464000      -1.288000    
 C    3.924300     -0.9507000      0.1136000    
 C   -2.223500      -1.247600     -4.9300000E-02
 C   -3.325200     -0.1980000     -1.1000000E-02
 C   0.5301000       2.033300      2.6000001E-02
 C   -4.711600     -0.8355000     -2.7600000E-02
 C   -5.808400      0.2141000      5.4200001E-02
 H    2.631800      -2.276600     -0.9599000    
 H    2.523300      -2.411900      0.7878000    
 H   4.7899999E-02  -2.190400      0.7895000    
 H   4.6100002E-02  -2.099400     -0.9905000    
 H    4.077100     -0.2118000     -0.6787000    
 H    4.025700     -0.4427000       1.076300    
 H    4.752700      -1.665000      4.8000000E-02
 H   -2.308600      -1.915800      0.8155000    
 H   -2.303300      -1.842600     -0.9666000    
 H   0.7095000       1.836900       2.062100    
 H   0.7727000       1.937300      -2.010700    
 H   -3.209000      0.4835000     -0.8630000    
 H   -3.202400      0.4216000      0.8863000    
 H   -4.814300      -1.526700      0.8170000    
 H   -4.840700      -1.422100     -0.9445000    
 H   -5.727100      0.7955000      0.9782000    
 H   -5.753600      0.9053000     -0.7929000    
 H   -6.792600     -0.2643000      3.9400000E-02


%chk=000049170-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000049170

0 1
O -1.049431 -0.675302 -0.008668
O 1.373656 -0.469211 2.445253
O 1.422955 -0.376708 -2.423481
O 0.978257 3.510255 0.081047
N 1.203436 1.487437 1.228256
N 1.228164 1.532345 -1.136961
C 1.361232 -0.704660 0.005100
C 2.629201 -1.620943 0.000360
C 0.088586 -1.594361 -0.025737
C 1.313657 0.091804 1.321039
C 1.339826 0.141356 -1.280129
C 3.963008 -0.846909 0.027370
C -2.348462 -1.368675 -0.062536
C -3.451258 -0.309711 0.005891
C 1.116628 2.262339 0.058969
C -4.866709 -0.929320 -0.066810
C -5.980754 0.135421 0.025807
H 2.578886 -2.248833 -0.907950
H 2.561597 -2.281898 0.883731
H 0.081109 -2.253406 0.867429
H 0.093715 -2.206325 -0.951874
H 4.074149 -0.193923 -0.857607
H 4.056455 -0.225339 0.936700
H 4.810330 -1.554989 0.023575
H -2.425609 -2.077458 0.792035
H -2.415533 -1.953389 -1.007034
H 1.133780 2.008052 2.108698
H 1.177737 2.086174 -1.998237
H -3.310514 0.407352 -0.825929
H -3.338162 0.263485 0.946311
H -4.991048 -1.665525 0.753534
H -4.974512 -1.494989 -1.014676
H -5.917362 0.693298 0.978754
H -5.898116 0.868778 -0.798122
H -6.983795 -0.325324 -0.030712


