%chk=000048535.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048535

0 1
 O   -2.429700     -0.4668000     -0.4875000    
 O  -0.1546000      0.5339000       2.155200    
 O   0.5129000     -0.4750000      -2.495200    
 O    3.820900      -1.137000      0.6057000    
 N    1.814700     -0.3046000       1.348000    
 N    2.141400     -0.7943000     -0.9208000    
 C  -5.4499999E-02  6.5300003E-02 -0.2110000    
 C  -0.5820000       1.455100     -0.5924000    
 C   0.5100000      0.1314000       1.197900    
 C   0.8715000     -0.4133000      -1.317400    
 C   -1.174800     -0.9348000     -0.1496000    
 C   0.5254000       2.457900     -0.6199000    
 C    2.669700     -0.7713000      0.3612000    
 C   -1.008400      -2.213000      0.2081000    
 C   -3.327400     -0.6162000      0.5943000    
 C   0.5479000       3.561600      0.1354000    
 C   -4.683100     -7.8800000E-02  0.1880000    
 H   -1.361300       1.787500      0.1074000    
 H   -1.044200       1.447100      -1.588900    
 H    2.192300     -0.2742000       2.291000    
 H    2.760300      -1.126300      -1.655200    
 H    1.343500       2.301600      -1.318100    
 H   -1.825400      -2.925800      0.2126000    
 H  -3.2699998E-02  -2.603500      0.4785000    
 H   -3.463600      -1.665800      0.8780000    
 H   -2.968000     -5.7000000E-02   1.467200    
 H    1.372100       4.262300      5.8800001E-02
 H  -0.2457000       3.785100      0.8397000    
 H   -5.402800     -0.1713000       1.006300    
 H   -4.609300      0.9754000     -9.8999999E-02
 H   -5.067600     -0.6196000     -0.6831000    


%chk=000048535-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048535

0 1
O -2.387281 -0.200789 0.151647
O -0.173991 1.118028 2.062209
O 0.880725 -0.420402 -2.426627
O 3.661139 -1.345424 1.174258
N 1.682390 -0.172658 1.590185
N 2.199411 -0.908665 -0.595745
C -0.031600 0.191323 -0.222019
C -0.549951 1.550065 -0.815451
C 0.468921 0.442815 1.223764
C 1.029996 -0.389585 -1.180301
C -1.178266 -0.847421 -0.084920
C 0.566877 2.548935 -1.047873
C 2.585553 -0.849433 0.757303
C -0.991519 -2.195441 -0.129327
C -3.568649 -1.039110 0.458720
C 0.751255 3.674261 -0.312955
C -4.722702 -0.085855 0.752737
H -1.295363 1.947837 -0.110622
H -1.056134 1.316269 -1.768885
H 1.971994 -0.073003 2.568673
H 2.882751 -1.337099 -1.229493
H 1.245151 2.333335 -1.887497
H -1.812070 -2.905919 -0.007825
H -0.003931 -2.619338 -0.322237
H -3.783132 -1.689287 -0.413612
H -3.330521 -1.680235 1.331505
H 1.565873 4.374467 -0.530870
H 0.090584 3.922891 0.526714
H -5.634325 -0.662092 0.994120
H -4.480458 0.563666 1.610513
H -4.935226 0.553465 -0.120886


