%chk=000044504.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044504

0 1
 O  -0.8945000       1.867800      0.5065000    
 O   -3.130100       3.515500      0.3541000    
 O    3.447300      -1.565800      0.5117000    
 O   -1.002700     -0.5452000       1.876600    
 O    5.581600      -2.075000     -0.1321000    
 N   -3.578600      5.9000000E-02 -0.8953000    
 C   -4.073000      -2.364800      -1.180500    
 C   -4.262400      -1.096600     -0.3306000    
 C   -3.723300       1.223100     -3.1800002E-02
 C   -2.964500       2.437600     -0.5716000    
 C   -1.470400       2.183000     -0.7591000    
 C   -2.580000      -2.672300      -1.323700    
 C   -4.794300      -3.579800     -0.5915000    
 C   0.1762000       1.024300      0.5063000    
 C    2.451800      0.5437000     -0.2136000    
 C    1.333100       1.387500     -0.1926000    
 C    2.366400     -0.6620000      0.4841000    
 C   0.1198000     -0.1865000       1.194500    
 C    3.698100      0.8584000     -0.9249000    
 C    1.219600      -1.038000       1.185800    
 C    4.709900     -1.9900000E-02 -0.8812000    
 C    3.821900       2.146900      -1.684400    
 C    4.635100      -1.295900     -0.1500000    
 C   -1.087000     -0.1451000       3.243300    
 H   -4.484300      -2.185600      -2.182500    
 H   -3.897400      -1.291400      0.6865000    
 H   -5.336300     -0.8853000     -0.2552000    
 H   -4.783000       1.492500      6.3800000E-02
 H   -3.377500       1.001100      0.9861000    
 H   -3.404000       2.750400      -1.526200    
 H   -2.589100     -0.1546000     -0.9953000    
 H  -0.9903000       3.102500      -1.115300    
 H   -1.284900       1.398700      -1.502300    
 H   -2.064600      -1.929400      -1.940100    
 H   -2.432700      -3.639500      -1.817700    
 H   -2.083800      -2.719200     -0.3481000    
 H   -4.670900      -4.457900      -1.234000    
 H   -5.867000      -3.381400     -0.4966000    
 H   -4.406400      -3.827100      0.4024000    
 H    1.352700       2.342000     -0.7126000    
 H   -2.675600       4.291600     -1.5799999E-02
 H    1.186600      -1.984700       1.717600    
 H    5.645300      0.1801000      -1.395200    
 H    3.702400       3.005900      -1.015400    
 H    3.067800       2.205800      -2.476500    
 H    4.802000       2.245800      -2.164400    
 H   -1.055300      0.9457000       3.327700    
 H  -0.2742000     -0.5919000       3.824500    
 H   -2.040500     -0.4990000       3.644800    


%chk=000044504-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044504

0 1
O -0.940747 1.095292 0.836890
O -3.093421 3.134885 1.098984
O 4.327072 -0.823477 1.133204
O 0.012225 -0.309159 3.098948
O 6.450107 -1.155353 0.289587
N -3.445780 -0.146385 -0.614251
C -4.162140 -2.246720 -1.800417
C -4.536510 -1.134335 -0.790273
C -3.761903 0.981954 0.288576
C -2.905319 2.224145 -0.042973
C -1.429723 1.890402 -0.298679
C -2.948430 -3.079779 -1.321155
C -5.384404 -3.160964 -2.049592
C 0.406965 0.710217 0.847918
C 2.642618 0.439366 -0.158766
C 1.306139 0.932375 -0.208075
C 3.040158 -0.292227 0.998192
C 0.844900 0.001545 2.023193
C 3.616219 0.627149 -1.228458
C 2.156858 -0.501524 2.074889
C 4.885761 0.096259 -1.083553
C 3.238033 1.392440 -2.477793
C 5.327308 -0.652387 0.086903
C -0.797839 0.771450 3.716284
H -3.889741 -1.746218 -2.751912
H -4.841433 -1.619013 0.172833
H -5.424350 -0.590340 -1.169197
H -4.824084 1.256946 0.161937
H -3.611138 0.748234 1.365371
H -3.279224 2.686836 -0.983012
H -2.580265 -0.609374 -0.302580
H -0.822886 2.815324 -0.397909
H -1.355409 1.298415 -1.233135
H -2.025623 -2.474718 -1.245908
H -2.738214 -3.904232 -2.027079
H -3.148342 -3.529125 -0.328817
H -5.148482 -3.941486 -2.795906
H -6.251304 -2.584427 -2.423589
H -5.692381 -3.670716 -1.116005
H 0.975895 1.470655 -1.100158
H -2.716234 4.024653 0.881818
H 2.486376 -1.050815 2.959700
H 5.641154 0.217286 -1.864861
H 2.935077 2.428669 -2.234914
H 2.384891 0.914578 -2.995837
H 4.081871 1.440570 -3.184436
H -1.488573 1.224931 2.988604
H -0.127174 1.542576 4.140141
H -1.349558 0.270625 4.525467


