%chk=000117507.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117507

0 1
 O   0.9590000      -1.325900      0.3292000    
 O    1.008400       1.305300      0.3372000    
 O    1.244700      -3.329600     -0.7679000    
 O    1.339000       3.287500     -0.7860000    
 N    2.958800      -2.364000      0.4222000    
 N    3.026600       2.306400      0.4289000    
 C   -2.629600      4.3299999E-02  9.2399999E-02
 C   -1.084200      1.3200000E-02  0.4010000    
 C   -3.315200       1.291700      0.6781000    
 C   -3.323300      -1.209200      0.6749000    
 C   -2.881600      2.2800000E-02  -1.432300    
 C  -0.3909000      -1.268700     -0.1186000    
 C  -0.3398000       1.267400     -0.1191000    
 C    1.677900      -2.419800     -6.8700001E-02
 C    1.750200       2.379500     -7.1300000E-02
 H  -0.9549000      1.2100000E-02   1.493300    
 H   -3.095000       1.392700       1.746500    
 H   -4.404500       1.234700      0.5688000    
 H   -2.997800       2.210500      0.1753000    
 H   -3.033200      -2.128300      0.1566000    
 H   -3.089000      -1.325500       1.738800    
 H   -4.413500      -1.133300      0.5850000    
 H   -3.957400      3.7900001E-02  -1.645800    
 H   -2.448100      0.8966000      -1.928600    
 H   -2.476900     -0.8757000      -1.908100    
 H  -0.3958000      -1.288400      -1.214000    
 H  -0.8992000      -2.161200      0.2568000    
 H  -0.3375000       1.276700      -1.214900    
 H  -0.8336000       2.175300      0.2397000    
 H    3.270800      -1.588300      0.9967000    
 H    3.632800      -3.095900      0.2247000    
 H    3.320200       1.533200       1.016400    
 H    3.715700       3.022500      0.2257000    


%chk=000117507-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000117507

0 1
O 0.942589 -2.100091 -0.006921
O 0.751914 1.745306 0.606657
O 0.733931 -3.963792 -1.439916
O 0.380531 3.528221 -0.903266
N 2.628083 -3.623556 -0.090907
N 1.187323 3.869336 1.273447
C -2.157112 0.151824 0.158146
C -0.636354 -0.266612 0.204423
C -2.327214 1.609199 0.668852
C -2.979160 -0.777836 1.095445
C -2.728748 0.060786 -1.284754
C -0.399827 -1.638539 -0.455520
C 0.340737 0.752310 -0.422715
C 1.385278 -3.302539 -0.593940
C 0.744186 3.097374 0.220642
H -0.351533 -0.366896 1.271637
H -1.875238 1.740229 1.669228
H -3.403890 1.852779 0.743850
H -1.868065 2.343648 -0.016044
H -2.954452 -1.835510 0.775615
H -2.601315 -0.725661 2.134272
H -4.039367 -0.463221 1.105821
H -3.770895 0.430017 -1.300545
H -2.150211 0.680656 -1.994971
H -2.741050 -0.977837 -1.664549
H -0.402059 -1.589896 -1.559944
H -1.145695 -2.388184 -0.143463
H 1.269557 0.243175 -0.732750
H -0.087548 1.294419 -1.284318
H 3.077199 -3.025276 0.597922
H 3.082492 -4.469983 -0.420821
H 1.465203 3.435000 2.149918
H 1.233814 4.876652 1.152369


