%chk=000045492.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045492

0 1
 O   -3.038500      -2.750500       1.222600    
 O   -4.595000      -2.262700      -1.025600    
 O    7.088100     -0.2498000     -0.2542000    
 O    6.326100      -2.294200     -1.1300000E-02
 N   -1.142400       3.066600      0.2465000    
 N    6.136600      -1.061400     -0.1508000    
 C   -1.147600       1.798700       1.025300    
 C   -2.076500      0.7149000      0.4716000    
 C   0.2964000       1.263600       1.078100    
 C   -2.465800       3.392700     -0.2978000    
 C   -2.893400       2.316200      -1.290100    
 C   -2.906600      0.9659000     -0.6346000    
 C   0.7913000      0.9130000     -0.3175000    
 C   -2.155900     -0.5420000       1.096200    
 C  -0.6623000       4.196300       1.051600    
 C   -3.734900     -4.6799999E-02  -1.140000    
 C   -2.994900      -1.540400      0.5984000    
 C   -3.777200      -1.295800     -0.5253000    
 C    2.204500      0.3905000     -0.2737000    
 C    3.263000       1.279400     -0.3872000    
 C    2.423800     -0.9704000     -0.1203000    
 C    4.570900      0.7963000     -0.3463000    
 C    3.731700      -1.453400     -7.9300001E-02
 C    4.805300     -0.5701000     -0.1924000    
 C   -2.119300      -3.744400      0.7741000    
 C   -5.927300      -2.312200     -0.5182000    
 H   -1.499000       2.005400       2.045900    
 H   0.3577000      0.3811000       1.727500    
 H   0.9678000       1.994100       1.545000    
 H   -2.430600       4.348400     -0.8354000    
 H   -3.207200       3.496300      0.5063000    
 H   -2.210000       2.289200      -2.147900    
 H   -3.893600       2.562700      -1.666000    
 H   0.7633000       1.784400     -0.9837000    
 H   0.1612000      0.1550000     -0.7977000    
 H   -1.562800     -0.7499000       1.983700    
 H   0.3632000       4.041800       1.398500    
 H   -1.299200       4.378400       1.924900    
 H  -0.6389000       5.112200      0.4497000    
 H   -4.357400      0.1460000      -2.010900    
 H    3.090300       2.345500     -0.5049000    
 H    1.593900      -1.665600     -2.8999999E-02
 H    5.382500       1.513800     -0.4368000    
 H    3.876300      -2.523900      4.2300001E-02
 H   -2.276000      -4.649000       1.368000    
 H   -1.088100      -3.405700      0.9172000    
 H   -2.293700      -3.982900     -0.2798000    
 H   -6.457900      -1.381500     -0.7431000    
 H   -5.922100      -2.490700      0.5617000    
 H   -6.449200      -3.139500      -1.006800    


%chk=000045492-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000045492

0 1
O -3.327241 -2.678920 1.402133
O -4.833474 -2.188183 -1.070649
O 7.360908 0.230335 -0.050312
O 6.771371 -1.972498 -0.120019
N -1.099290 3.039167 0.272947
N 6.478264 -0.712858 -0.114981
C -1.120762 1.745617 1.017455
C -2.117990 0.727806 0.447350
C 0.323207 1.146067 1.059178
C -2.353356 3.391408 -0.431636
C -2.702040 2.299368 -1.455299
C -2.849340 0.964671 -0.747141
C 0.867686 0.806646 -0.354831
C -2.300801 -0.499110 1.131612
C -0.596061 4.156173 1.097027
C -3.747708 -0.021623 -1.219665
C -3.178000 -1.489086 0.649125
C -3.929848 -1.238625 -0.535753
C 2.327890 0.404195 -0.320091
C 3.347537 1.394726 -0.250755
C 2.714708 -0.963718 -0.323366
C 4.707483 1.042353 -0.184037
C 4.069367 -1.341400 -0.256326
C 5.051665 -0.328713 -0.185394
C -2.925595 -3.914412 0.689130
C -6.000077 -2.481550 -0.203978
H -1.416519 1.929453 2.083131
H 0.325591 0.239946 1.694177
H 1.002467 1.870116 1.548180
H -2.187591 4.356981 -0.945134
H -3.212576 3.531962 0.272803
H -1.892342 2.255093 -2.210311
H -3.635930 2.558555 -1.988090
H 0.722907 1.709538 -0.978190
H 0.254624 -0.003499 -0.790945
H -1.759933 -0.715995 2.059682
H 0.391102 3.911250 1.524957
H -1.279474 4.417001 1.943570
H -0.473815 5.054885 0.466583
H -4.340803 0.152009 -2.124464
H 3.064502 2.453866 -0.260771
H 1.941131 -1.737789 -0.383183
H 5.500237 1.793632 -0.136241
H 4.380186 -2.389517 -0.260194
H -3.152150 -4.739237 1.381737
H -1.840216 -3.892439 0.473475
H -3.491845 -4.029836 -0.252412
H -6.627157 -1.576370 -0.094618
H -5.675553 -2.834554 0.791581
H -6.564749 -3.267290 -0.728549


