%chk=000148596.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148596

0 1
 O    1.708300     -0.5564000      0.6624000    
 O    3.641400       1.345600      -1.688700    
 O    3.899800      -2.315800      0.8059000    
 O   -1.414200       1.996400       1.368400    
 N  -0.4636000      0.2188000      0.2456000    
 N   -2.849300      0.5278000      0.4013000    
 N   -4.314500     -0.9816000     -0.5902000    
 N   -5.323400     -0.1642000     -0.1708000    
 C    2.958100       1.088500     -0.4799000    
 C    1.497100       1.455800     -0.5832000    
 C   0.8866000      0.6137000      0.5221000    
 C    2.870900     -0.3968000     -0.1677000    
 C    4.091900     -0.9344000      0.5572000    
 C  -0.6795000     -0.9324000     -0.4940000    
 C   -1.573000      0.9691000      0.7067000    
 C   -1.898700      -1.373800     -0.7971000    
 C   -3.037900     -0.5604000     -0.2979000    
 H    3.430900       1.651300      0.3338000    
 H    1.312200       2.526700     -0.4513000    
 H    1.105200       1.190200      -1.573700    
 H   0.9284000       1.154300       1.475100    
 H    2.703400     -0.9857000      -1.078700    
 H    4.237000     -0.4389000       1.522700    
 H    4.998500     -0.8128000     -4.2399999E-02
 H    4.551100       1.018200      -1.587000    
 H   0.1836000      -1.479000     -0.8550000    
 H    3.088800      -2.409300       1.334600    
 H   -2.076700      -2.266400      -1.381700    
 H   -4.520100      -1.777900      -1.183900    
 H   -6.130800     -0.7370000      7.1099997E-02
 H   -5.618300      0.4208000     -0.9515000    


%chk=000148596-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000148596

0 1
O 1.735735 -0.691035 0.569036
O 3.561507 1.512611 -1.734839
O 4.013164 -2.345924 0.924758
O -1.329726 1.997850 1.129917
N -0.527971 0.027949 0.151321
N -2.906841 0.500055 0.223633
N -4.417407 -0.992431 -0.739897
N -5.535684 -0.204072 -0.362790
C 2.965830 1.135385 -0.452899
C 1.462874 1.460312 -0.500307
C 0.838472 0.481401 0.517720
C 2.987110 -0.396550 -0.198780
C 4.147172 -0.915222 0.653850
C -0.751686 -1.139187 -0.543465
C -1.624011 0.916627 0.541181
C -2.034732 -1.524104 -0.881668
C -3.107734 -0.650856 -0.454705
H 3.459498 1.665617 0.390420
H 1.228448 2.506050 -0.255253
H 1.096498 1.243524 -1.519799
H 0.754598 0.931774 1.521144
H 2.941110 -0.931634 -1.168229
H 4.197966 -0.330107 1.597866
H 5.103496 -0.808821 0.110941
H 4.548909 1.501582 -1.665252
H 0.134068 -1.736190 -0.773139
H 3.122638 -2.482625 1.340913
H -2.216379 -2.454398 -1.423587
H -4.633064 -1.842019 -1.259939
H -5.572284 -0.120692 0.664738
H -5.448371 0.739528 -0.770687


