%chk=000050640.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050640

0 1
 O  -0.3300000      -1.038200     -0.3118000    
 O   -1.694500      -2.379000      0.9684000    
 N    2.414200     -0.1831000     -0.5108000    
 N   -5.282900       2.783300     -0.2610000    
 C   0.7162000      -2.015100     -0.2350000    
 C    1.904600      -1.443700      -1.030600    
 C    4.030600       1.639900     -0.7780000    
 C    3.500300      0.3217000      -1.344500    
 C    4.575200       1.511900      0.6574000    
 C    1.054400      -2.220500       1.244500    
 C   0.1895000      -3.314400     -0.8512000    
 C    5.109300       2.838100       1.200600    
 C    5.681000      0.4540000      0.7006000    
 C   -1.477800      -1.356200      0.3375000    
 C   -2.476800     -0.2689000      0.1808000    
 C   -3.714900     -0.4105000      0.7731000    
 C   -2.136200      0.8490000     -0.5529000    
 C   -4.653600      0.6106000      0.6252000    
 C   -3.074900       1.870100     -0.7007000    
 C   -4.333600       1.750900     -0.1116000    
 H    2.712500      -2.186200      -1.044000    
 H    1.579800      -1.291300      -2.068600    
 H    4.821200       2.013900      -1.441000    
 H    3.232500       2.393700     -0.7937000    
 H    3.129800      0.5132000      -2.359400    
 H    4.306100     -0.4142000      -1.436400    
 H    3.767900       1.192600       1.328000    
 H    1.660700      0.5025000     -0.4688000    
 H    1.071500      -1.270100       1.790600    
 H   0.3674000      -2.885000       1.775500    
 H    2.042900      -2.684800       1.345000    
 H  -0.4926000      -3.881500     -0.2131000    
 H    1.022800      -3.993100      -1.068900    
 H  -0.3361000      -3.116900      -1.792800    
 H    5.459100       2.726900       2.232400    
 H    5.944600       3.206300      0.5954000    
 H    4.324000       3.601200       1.193200    
 H    5.289100     -0.5536000      0.5338000    
 H    6.456900      0.6541000     -4.6100002E-02
 H    6.162300      0.4408000       1.685100    
 H   -3.980300      -1.291300       1.349800    
 H   -1.169700      0.9841000      -1.028000    
 H   -5.631200      0.5060000       1.089000    
 H   -2.814000       2.754100      -1.277200    
 H   -6.195400       2.697600      0.1664000    
 H   -5.051300       3.610600     -0.7946000    


%chk=000050640-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000050640

0 1
O -0.286688 -1.204125 -0.287852
O -1.795024 -2.397297 1.063341
N 2.365591 -0.360613 -0.610150
N -5.093501 3.049171 -0.227570
C 0.795051 -2.280020 -0.253159
C 1.889253 -1.646114 -1.146431
C 3.881150 1.616474 -0.759806
C 3.444622 0.277316 -1.391677
C 4.423413 1.517178 0.690871
C 1.280553 -2.487860 1.192902
C 0.254296 -3.569507 -0.898409
C 4.664190 2.932089 1.268270
C 5.715636 0.670812 0.769373
C -1.502744 -1.375305 0.385586
C -2.399960 -0.207024 0.200095
C -3.653151 -0.207116 0.871820
C -2.067803 0.905343 -0.620324
C -4.546559 0.864476 0.736760
C -2.954688 1.983192 -0.765308
C -4.211839 1.982578 -0.087118
H 2.743900 -2.350505 -1.188344
H 1.480006 -1.564500 -2.185261
H 4.656562 2.075272 -1.408570
H 3.014682 2.312851 -0.771008
H 3.149459 0.463573 -2.457071
H 4.303089 -0.422716 -1.428137
H 3.648326 1.009685 1.299136
H 1.571667 0.277158 -0.454746
H 1.698847 -1.548274 1.588963
H 0.459445 -2.842636 1.834453
H 2.085837 -3.246015 1.196928
H -0.526958 -4.023026 -0.269448
H 1.079585 -4.296003 -1.016899
H -0.167520 -3.358487 -1.897570
H 5.020899 2.881246 2.314114
H 5.429736 3.473543 0.677839
H 3.737329 3.536741 1.254765
H 5.540404 -0.371679 0.448749
H 6.509155 1.101862 0.126964
H 6.101104 0.638958 1.805654
H -3.903424 -1.068856 1.499698
H -1.109801 0.908330 -1.148069
H -5.508252 0.848447 1.263867
H -2.685928 2.833181 -1.404462
H -5.989569 3.051388 0.251431
H -4.859775 3.846312 -0.812589


