%chk=000093613.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000093613

0 1
 O  -0.3555000      0.9145000      0.6625000    
 O    5.387800      0.1318000     -0.4092000    
 N   -2.266300     -0.3442000      0.3237000    
 N   -3.824600       1.526800      0.1265000    
 C   -4.440600      -1.267200      0.1891000    
 C   -3.204800      0.5370000       1.033300    
 C   -4.291300     -0.4478000       1.473000    
 C   -2.969700      -1.537800     -0.1632000    
 C   -5.127800     -0.3744000     -0.8587000    
 C   -4.355800      0.9314000      -1.111900    
 C  -0.9065000     -0.1030000      0.2402000    
 C   -2.951700       2.658300     -0.1673000    
 C  -9.7300000E-02  -1.189100     -0.4217000    
 C    1.357900     -0.8385000     -0.4182000    
 C    1.899800     -0.1241000      -1.482700    
 C    2.160900      -1.229200      0.6497000    
 C    3.255900      0.2024000      -1.479700    
 C    3.517100     -0.9027000      0.6531000    
 C    4.064600     -0.1868000     -0.4117000    
 C    6.006600      0.3259000      0.8618000    
 C    7.141200       1.316700      0.7114000    
 H   -5.007800      -2.190800      0.3363000    
 H   -2.726900       1.019000       1.893100    
 H   -5.217700      3.7700001E-02   1.798000    
 H   -3.931800      -1.082700       2.292600    
 H   -2.585900      -2.403400      0.3875000    
 H   -2.791600      -1.683700      -1.232500    
 H   -6.140300     -0.1328000     -0.5106000    
 H   -5.235900     -0.9204000      -1.803200    
 H   -3.541100      0.7263000      -1.819400    
 H   -5.025100       1.644900      -1.607400    
 H   -2.088100       2.376800     -0.7783000    
 H   -2.588800       3.120600      0.7571000    
 H   -3.506500       3.434000     -0.7069000    
 H  -0.4471000      -1.327400      -1.451400    
 H  -0.2528000      -2.137700      0.1050000    
 H    1.279400      0.1864000      -2.319000    
 H    1.745800      -1.790700       1.482400    
 H    3.676800      0.7606000      -2.311400    
 H    4.116600      -1.248000       1.490000    
 H    5.305600      0.7382000       1.598400    
 H    6.396500     -0.6323000       1.222300    
 H    7.646400       1.481800       1.667300    
 H    7.874400      0.9554000     -1.7300000E-02
 H    6.768500       2.276400      0.3382000    


%chk=000093613-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000093613

0 1
O -0.752179 1.486913 0.502559
O 5.495412 0.711827 -0.041566
N -2.382249 -0.158888 0.368092
N -4.241587 1.407748 -0.233670
C -4.416238 -1.406478 0.409559
C -3.511663 0.734521 0.854617
C -4.427829 -0.317892 1.514818
C -2.891649 -1.534857 0.116439
C -5.206269 -0.850843 -0.807716
C -4.593109 0.471981 -1.332155
C -1.077843 0.287311 0.237560
C -3.610044 2.647075 -0.739305
C -0.074701 -0.772273 -0.278905
C 1.387839 -0.380107 -0.175247
C 1.886811 0.792223 -0.805660
C 2.302423 -1.197008 0.527077
C 3.250701 1.124412 -0.743414
C 3.679273 -0.878748 0.604552
C 4.154622 0.289230 -0.039206
C 6.475318 -0.117260 0.682919
C 7.832669 0.563738 0.525723
H -4.838838 -2.372264 0.736521
H -3.093757 1.491512 1.535025
H -5.430910 0.090113 1.713286
H -3.983626 -0.685843 2.457557
H -2.424607 -2.268264 0.804700
H -2.693888 -1.861301 -0.923227
H -6.252809 -0.678693 -0.492942
H -5.224262 -1.586867 -1.634389
H -3.687282 0.235483 -1.947278
H -5.311516 0.975339 -2.005754
H -2.675651 2.461682 -1.316291
H -3.352774 3.304813 0.107262
H -4.327562 3.179171 -1.390994
H -0.342358 -0.975049 -1.338595
H -0.244110 -1.724771 0.258698
H 1.194076 1.458428 -1.328542
H 1.941475 -2.103596 1.029424
H 3.639213 2.027444 -1.224353
H 4.353671 -1.537588 1.159411
H 6.182724 -0.188770 1.751338
H 6.486469 -1.140587 0.252550
H 8.613064 -0.014673 1.053192
H 8.109916 0.636730 -0.539827
H 7.806133 1.583129 0.946956


