%chk=000148235.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148235

0 1
 O    2.346100      0.9639000     -0.5965000    
 O    2.199400      -2.579000     -0.3881000    
 O    2.743300       1.005900       1.687900    
 N    1.685700     -0.2915000     -0.4032000    
 C   -1.944300      0.4521000     -0.3709000    
 C   -2.426100     -0.6296000      0.4043000    
 C   0.3210000     -0.4037000     -0.1352000    
 C  -0.5678000      0.5504000     -0.6317000    
 C   -1.517400      -1.581000      0.8957000    
 C  -0.1529000      -1.467600      0.6267000    
 C   -2.853200       1.403300     -0.8623000    
 C   -3.802500     -0.7281000      0.6652000    
 C   -4.217400       1.289700     -0.5931000    
 C   -4.691200      0.2261000      0.1693000    
 C    2.545200      -1.403100     -0.5093000    
 C    4.000500      -1.107900     -0.8043000    
 C    2.829800       1.496700      0.5702000    
 C    3.501800       2.803300      0.2753000    
 H  -0.1942000       1.378800      -1.231500    
 H   -1.864800      -2.413200       1.504700    
 H   0.4995000      -2.201700       1.087400    
 H   -2.505500       2.243100      -1.460300    
 H   -4.195100      -1.551200       1.258700    
 H   -4.909800       2.032200     -0.9790000    
 H   -5.753300      0.1383000      0.3783000    
 H    4.513400      -2.040200      -1.060900    
 H    4.483900     -0.6818000      7.7900000E-02
 H    4.096100     -0.4292000      -1.656000    
 H    3.883600       3.232700       1.206000    
 H    4.342100       2.642200     -0.4046000    
 H    2.781600       3.500700     -0.1599000    


%chk=000148235-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148235

0 1
O 2.303586 0.793613 -0.670730
O 2.391152 -2.780149 -0.185834
O 2.738194 1.091311 1.639516
N 1.798013 -0.537415 -0.345719
C -1.831920 0.480229 -0.280520
C -2.436423 -0.671181 0.355903
C 0.380617 -0.587346 -0.122788
C -0.420858 0.495126 -0.512775
C -1.586600 -1.761063 0.734442
C -0.212403 -1.735970 0.510490
C -2.672789 1.576757 -0.669687
C -3.851219 -0.683396 0.582753
C -4.049578 1.537100 -0.437955
C -4.645310 0.398784 0.194866
C 2.745921 -1.582141 -0.373096
C 4.186076 -1.173350 -0.638605
C 2.713511 1.561845 0.497543
C 3.068199 2.953219 0.034446
H 0.026255 1.360041 -1.010863
H -2.032613 -2.638211 1.217834
H 0.420835 -2.576889 0.791998
H -2.218704 2.448816 -1.155830
H -4.302986 -1.557868 1.066109
H -4.682366 2.378963 -0.740053
H -5.726235 0.382161 0.371770
H 4.775897 -2.095617 -0.743211
H 4.591268 -0.588179 0.206763
H 4.278878 -0.564024 -1.553226
H 3.914172 3.334635 0.627419
H 3.310823 2.970314 -1.038595
H 2.204106 3.620483 0.208434


