%chk=000040053.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040053

1 1
 O   0.3790000     -0.3918000     -0.6179000    
 O   0.5788000       1.899500     -0.5187000    
 O    4.685200      -2.245200      0.2240000    
 N   -3.280600     -0.1805000      8.1000000E-02
 N    4.262400      -1.045200      0.1678000    
 C   -1.793900     -0.2676000      0.3944000    
 C   -3.567100       1.114800     -0.6648000    
 C   -4.074700     -0.2048000       1.379100    
 C   -3.686900      -1.364700     -0.7845000    
 C   -1.008700     -0.2742000     -0.9023000    
 C   -5.046200       1.195500     -0.9733000    
 C   -3.666700      0.9743000       2.235000    
 C   -3.399900      -2.649100     -3.8100000E-02
 C    1.056000      0.7775000     -0.4482000    
 C    2.489200      0.5189000     -0.1592000    
 C    2.932800     -0.7817000     -9.9799998E-02
 C    3.337300       1.582300      4.1800000E-02
 C    4.677600       1.328500      0.3117000    
 C    5.126500      1.3400000E-02  0.3719000    
 H   -1.577200      -1.120800       1.043700    
 H   -1.497700      0.6301000      0.9452000    
 H   -3.054500       1.089400      -1.629600    
 H   -3.188500       1.974800     -0.1072000    
 H   -3.803900      -1.104300       1.939100    
 H   -5.147500     -0.2475000       1.176600    
 H   -3.213200      -1.309700      -1.767600    
 H   -4.769600      -1.331700     -0.9363000    
 H   -1.164900      0.5978000      -1.540800    
 H   -1.226000      -1.154400      -1.510600    
 H   -5.224200       2.140300      -1.503500    
 H   -5.408400      0.4224000      -1.654300    
 H   -5.689000       1.241900     -9.2100002E-02
 H   -4.256300      0.9338000       3.160200    
 H   -2.626500      0.9528000       2.566800    
 H   -3.894500       1.948500       1.798000    
 H   -3.683600      -3.484800     -0.6911000    
 H   -2.344900      -2.813100      0.1899000    
 H   -3.997600      -2.786600      0.8657000    
 H    2.339500      -1.672400     -0.2440000    
 H    2.993100       2.611000     -3.8000001E-03
 H    5.369200       2.149100      0.4744000    
 H    6.150100     -0.2654000      0.5758000    


%chk=000040053-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040053

1 1
O 0.472921 -0.970056 -0.397769
O 0.201986 1.306859 -0.811418
O 5.202548 -1.695038 0.738302
N -3.255126 -0.270400 0.090863
N 4.510553 -0.610268 0.423249
C -1.820347 -0.718247 0.444439
C -3.179233 1.107732 -0.637427
C -4.073765 -0.154851 1.407823
C -3.945613 -1.304806 -0.839030
C -0.948401 -1.129419 -0.766706
C -4.529111 1.756737 -0.958479
C -3.590842 0.917316 2.391110
C -4.025734 -2.736490 -0.293532
C 0.962366 0.357860 -0.498380
C 2.408826 0.452945 -0.194184
C 3.149663 -0.698033 0.135460
C 3.031864 1.728434 -0.245190
C 4.412741 1.797724 0.045140
C 5.133427 0.644921 0.373484
H -1.903494 -1.548340 1.163715
H -1.347610 0.137102 0.948524
H -2.598345 0.939646 -1.557665
H -2.569242 1.758267 0.008333
H -4.030166 -1.150769 1.877757
H -5.117069 0.030754 1.102871
H -3.390074 -1.278583 -1.791902
H -4.957774 -0.913720 -1.030331
H -1.154048 -0.512407 -1.658268
H -1.045461 -2.196737 -1.014198
H -4.317469 2.722452 -1.450945
H -5.143523 1.172275 -1.663099
H -5.127641 1.981898 -0.060467
H -4.243902 0.870120 3.280558
H -2.560677 0.747749 2.745514
H -3.668332 1.941064 1.990334
H -4.470759 -3.367889 -1.082768
H -3.040258 -3.170943 -0.056130
H -4.678076 -2.828161 0.589808
H 2.735598 -1.704153 0.185399
H 2.449311 2.614466 -0.507283
H 4.945734 2.751662 0.018301
H 6.198552 0.622424 0.608590


