%chk=000088104.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000088104

0 1
 O  -0.3255000      0.1656000       2.426200    
 O    1.674000      -1.605700      0.3979000    
 N   -1.460400     -0.1014000      0.3994000    
 C   -3.817700      0.4090000      -1.187200    
 C   -3.884400      0.3224000      0.3379000    
 C   -2.428400      0.8441000      -1.654000    
 C   -2.767500     -0.5608000      0.8877000    
 C   -1.338800     -4.3600000E-02  -1.057500    
 C  -0.3605000      0.2201000       1.197800    
 C   0.8752000      0.6522000      0.5329000    
 C    1.845400     -0.2750000      0.1580000    
 C    1.067500       2.009000      0.2793000    
 C    3.012600      0.1560000     -0.4726000    
 C    2.234400       2.440100     -0.3514000    
 C    3.207100       1.513600     -0.7273000    
 C    1.669100      -2.472400     -0.7345000    
 C   0.7980000      -3.673100     -0.4327000    
 H   -4.057700     -0.5704000      -1.618900    
 H   -4.571000       1.115500      -1.552900    
 H   -3.791200       1.331600      0.7584000    
 H   -4.858600     -7.0600003E-02  0.6480000    
 H   -2.378700      0.8119000      -2.748000    
 H   -2.256700       1.884400      -1.350800    
 H   -2.772000     -0.5431000       1.982300    
 H   -2.895400      -1.600700      0.5662000    
 H   -1.453900      -1.071100      -1.425700    
 H  -0.3742000      0.3060000      -1.424000    
 H   0.3160000       2.739600      0.5671000    
 H    3.783300     -0.5523000     -0.7638000    
 H    2.385900       3.497000     -0.5497000    
 H    4.116600       1.849500      -1.216700    
 H    1.280300      -1.958800      -1.622500    
 H    2.694900      -2.799400     -0.9366000    
 H   0.7804000      -4.366200      -1.278300    
 H    1.165200      -4.203800      0.4519000    
 H  -0.2275000      -3.358600     -0.2120000    


%chk=000088104-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000088104

0 1
O -0.595638 0.731566 2.365985
O 1.053209 -1.467526 -0.271116
N -1.550159 0.065250 0.346847
C -4.077681 0.245122 -1.113214
C -4.019364 0.424518 0.422271
C -2.738231 0.674861 -1.755599
C -2.809531 -0.328496 1.018163
C -1.545251 -0.081194 -1.121912
C -0.485582 0.519478 1.112101
C 0.830814 0.818973 0.422916
C 1.621413 -0.183111 -0.211645
C 1.369650 2.119797 0.557134
C 2.903049 0.132382 -0.728083
C 2.640105 2.447575 0.034457
C 3.402460 1.448447 -0.609264
C 1.878314 -2.568902 -0.807361
C 1.050064 -3.843977 -0.674287
H -4.271486 -0.822242 -1.349858
H -4.915838 0.826610 -1.541339
H -3.933016 1.500157 0.670991
H -4.947563 0.049679 0.894574
H -2.746968 0.481238 -2.845727
H -2.591495 1.763855 -1.613767
H -2.685754 -0.116838 2.092506
H -2.950378 -1.423190 0.888785
H -1.604765 -1.159840 -1.378618
H -0.593475 0.302755 -1.519739
H 0.779363 2.869867 1.094014
H 3.514327 -0.633078 -1.214343
H 3.033141 3.463753 0.139995
H 4.393460 1.685170 -1.012618
H 2.131204 -2.361304 -1.867775
H 2.820059 -2.637450 -0.225493
H 1.619271 -4.708278 -1.062233
H 0.798749 -4.034470 0.382685
H 0.109322 -3.760558 -1.245530


