%chk=000100583.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100583

0 1
 O   -1.186100     -0.5841000      0.9538000    
 O   -1.237600       2.467700     -0.9285000    
 O   -3.283900       1.530700      0.6120000    
 O   -2.187000      -3.057400      8.8699996E-02
 O    1.586100       2.357900      0.6606000    
 N   0.8245000      0.2471000      9.8800004E-02
 N    3.138900      0.8881000     -3.6800001E-02
 C  -0.5229000      0.5891000      0.4554000    
 C   -1.333700       1.071500     -0.7351000    
 C   -2.734600      0.6385000     -0.3574000    
 C   -2.481900     -0.6986000      0.3257000    
 C   -2.436600      -1.871300     -0.6448000    
 C   0.9848000      -1.072900     -0.5208000    
 C    1.826100       1.215100      0.2469000    
 C    2.010200      -1.875300      0.2091000    
 C    3.732500     -0.3206000     -0.5949000    
 C    3.301100      -1.525500      0.1674000    
 H  -0.5186000       1.337100       1.257200    
 H   -1.030700      0.5723000      -1.663300    
 H   -3.422200      0.5978000      -1.206800    
 H   -3.201400     -0.9044000       1.126300    
 H   -1.690600      -1.765300      -1.434500    
 H   -3.412500      -1.979500      -1.130900    
 H    1.265100     -0.9217000      -1.569700    
 H   8.1699997E-02  -1.666600     -0.5349000    
 H  -0.3015000       2.676800      -1.087200    
 H   -4.163900       1.193200      0.8519000    
 H    1.700300      -2.753700      0.7656000    
 H    3.795900       1.650200      0.1022000    
 H    4.819200     -0.2071000     -0.5214000    
 H    3.478100     -0.3855000      -1.657500    
 H    4.045000      -2.119500      0.6877000    
 H   -2.185900      -3.793000     -0.5473000    


%chk=000100583-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100583

0 1
O -1.184568 -0.819732 0.752853
O -1.292807 2.577862 -0.663648
O -3.141801 1.460504 1.090459
O -2.530776 -3.096820 -0.501142
O 1.329383 2.329452 -0.241957
N 0.851960 0.052930 -0.179487
N 3.092165 0.893770 -0.569657
C -0.492262 0.418636 0.379805
C -1.442061 1.154895 -0.620400
C -2.834862 0.702027 -0.120745
C -2.574109 -0.791209 0.211858
C -2.731200 -1.727369 -0.992256
C 1.245196 -1.375421 -0.349448
C 1.740721 1.107138 -0.321606
C 2.292265 -1.794707 0.669133
C 3.929322 -0.336379 -0.527799
C 3.551780 -1.292275 0.593606
H -0.347398 1.050462 1.276877
H -1.281405 0.698368 -1.626512
H -3.617973 0.838887 -0.893803
H -3.223693 -1.154465 1.028396
H -1.995047 -1.472162 -1.783353
H -3.756961 -1.600668 -1.405729
H 1.628348 -1.514535 -1.379742
H 0.327736 -1.970121 -0.234641
H -0.306198 2.755473 -0.511849
H -4.060421 1.242371 1.388387
H 1.988973 -2.452170 1.492204
H 3.576945 1.781750 -0.715611
H 4.972485 0.000104 -0.399987
H 3.884897 -0.861623 -1.505797
H 4.308281 -1.538678 1.347789
H -2.649014 -3.735195 -1.248699


