%chk=000014374.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000014374

0 1
 O    3.982500      -2.010900     -7.5000003E-02
 O    2.008300      -2.849900      0.3917000    
 N   -2.402800     -0.5837000     -7.4600004E-02
 N   0.3142000       3.096800     -5.6299999E-02
 N    2.752800      -1.874400      0.1316000    
 C   -2.272400      0.6411000      0.7268000    
 C   -1.052800       1.410400      0.4069000    
 C   0.2585000      0.8856000      0.2349000    
 C    1.096900       1.964200     -5.5000000E-02
 C   -2.457500     -0.2530000      -1.495500    
 C   -3.593200      -1.326100      0.3296000    
 C  -0.9864000       2.772200      0.2221000    
 C   0.8145000     -0.4076000      0.2981000    
 C    2.468900       1.813700     -0.2858000    
 C   -2.592500      -1.504800      -2.345800    
 C   -3.522100      -1.721900       1.794700    
 C    2.185300     -0.5734000      6.9399998E-02
 C    2.998000      0.5216000     -0.2178000    
 H   -2.186900      0.4050000       1.793600    
 H   -3.162700       1.274700      0.6113000    
 H   -3.289000      0.4272000      -1.722100    
 H   -1.539200      0.2434000      -1.826200    
 H   -4.515600     -0.7621000      0.1417000    
 H   -3.667700      -2.270400     -0.2190000    
 H   -1.746000       3.540500      0.2627000    
 H   0.6518000       4.032100     -0.2368000    
 H   0.1735000      -1.251500      0.5341000    
 H    3.102000       2.665700     -0.5095000    
 H   -1.870200      -2.274800      -2.053800    
 H   -3.601200      -1.928100      -2.314400    
 H   -2.394700      -1.256100      -3.394800    
 H   -2.551500      -2.160100       2.051800    
 H   -3.724300     -0.8823000       2.466700    
 H   -4.286300      -2.478500       2.006900    
 H    4.065100      0.4099000     -0.3981000    


%chk=000014374-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000014374

0 1
O 3.911753 -2.142304 0.227213
O 1.805583 -2.919844 0.624047
N -2.576157 -0.453253 -0.127482
N 0.422039 3.169459 -0.189611
N 2.636114 -1.962536 0.362749
C -2.373731 0.805598 0.641748
C -1.093221 1.517047 0.281758
C 0.236974 0.931475 0.204410
C 1.165975 1.996267 -0.091860
C -2.796653 -0.193708 -1.577643
C -3.634163 -1.307373 0.478924
C -0.937459 2.877511 0.032894
C 0.718269 -0.388313 0.350142
C 2.556366 1.771498 -0.232628
C -2.510607 -1.421490 -2.462501
C -3.184107 -2.010371 1.774474
C 2.105230 -0.592608 0.211453
C 3.025871 0.459390 -0.075379
H -2.342292 0.531608 1.713374
H -3.235639 1.513610 0.522808
H -3.835167 0.182323 -1.768731
H -2.107150 0.619088 -1.871662
H -4.568603 -0.718415 0.670833
H -3.898927 -2.082682 -0.260977
H -1.689914 3.663558 0.001861
H 0.798239 4.092682 -0.394694
H 0.040152 -1.221986 0.543353
H 3.251235 2.587449 -0.456641
H -1.480753 -1.779765 -2.290695
H -3.202143 -2.259037 -2.259889
H -2.617794 -1.154604 -3.530324
H -2.276600 -2.610424 1.586574
H -2.961172 -1.296461 2.587946
H -3.981036 -2.685040 2.138430
H 4.086786 0.216153 -0.170176


