%chk=000111097.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111097

0 1
 O   -3.061600      -1.777600     -0.8770000    
 O   0.4984000      -3.665000     -0.2130000    
 O    4.591700       1.714200     -0.1114000    
 O    4.955700      -1.029000     -0.2090000    
 N   -1.659100       2.805500     -0.4116000    
 N   0.1145000      -1.469200      0.3994000    
 C  -0.3263000      0.8488000      0.1609000    
 C  -0.7408000     -0.4250000      0.9283000    
 C   -1.021600       2.106400      0.7483000    
 C   -2.216800     -0.7070000       1.186600    
 C   -3.029100      0.6170000       1.148900    
 C   -2.114500       1.717200       1.778400    
 C  -0.6395000      0.8857000      -1.351900    
 C    1.170400      0.5708000      0.2200000    
 C  -0.9387000       2.349500      -1.605000    
 C   -2.720100      -1.969600      0.4894000    
 C   -3.497800       1.112600     -0.2104000    
 C   -3.115900       2.546500     -0.5264000    
 C    1.364900     -0.8395000      0.1979000    
 C   -1.684400      -3.106900      0.5978000    
 C  -0.2454000      -2.777900      0.2054000    
 C    2.240200       1.438600      0.1233000    
 C   -4.102500      0.3572000      -1.142900    
 C   -4.315300      -1.113200      -1.046300    
 C    2.616800      -1.394900      3.2299999E-02
 C    3.515000      0.8816000     -9.1000004E-03
 C    3.699100     -0.5149000     -6.4599998E-02
 C    5.244900       2.076900       1.102000    
 C    5.417700      -1.239000      -1.540400    
 H  -0.3439000     -0.3027000       1.957000    
 H  -0.2936000       2.781600       1.211100    
 H   -2.250100     -0.9997000       2.251300    
 H   -3.913900      0.5037000       1.788800    
 H   -2.702600       2.596200       2.073400    
 H   -1.658000       1.359400       2.710000    
 H   -1.485300      0.2499000      -1.613200    
 H   0.1823000      0.5637000      -2.003800    
 H  -3.1999999E-03   2.916300      -1.688500    
 H   -1.486800       2.508800      -2.539900    
 H   -3.616400      -2.328400       1.014100    
 H   -3.469900       2.853800      -1.519200    
 H   -3.648300       3.213700      0.1641000    
 H   -2.006300      -3.944600     -3.3000000E-02
 H   -1.644500      -3.461500       1.635400    
 H    2.093900       2.512900      0.1112000    
 H   -4.380800      0.8120000      -2.091100    
 H   -5.046600      -1.375600     -0.2733000    
 H   -4.724700      -1.465200      -1.999600    
 H    2.774200      -2.466900      1.2700000E-02
 H    5.636100       1.189900       1.610200    
 H    4.556900       2.614800       1.761900    
 H    6.081800       2.736500      0.8572000    
 H    5.443000     -0.2951000      -2.094100    
 H    4.779000      -1.961400      -2.058700    
 H    6.432900      -1.642200      -1.491600    


%chk=000111097-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000111097

0 1
O -3.062239 -1.814153 -0.948864
O 0.543164 -3.666116 -0.079560
O 4.628086 1.790495 -0.180548
O 5.016913 -1.089539 -0.116145
N -1.759032 2.808181 -0.448699
N 0.094725 -1.469369 0.552303
C -0.377125 0.828791 0.177707
C -0.803842 -0.391185 1.041511
C -1.096916 2.128223 0.733997
C -2.299151 -0.714804 1.233544
C -3.108688 0.634149 1.149429
C -2.190780 1.743508 1.771432
C -0.744623 0.783803 -1.350217
C 1.143120 0.594293 0.254261
C -1.067144 2.267372 -1.658996
C -2.783863 -1.982138 0.483368
C -3.601899 1.134708 -0.223383
C -3.249372 2.598122 -0.483873
C 1.354577 -0.821579 0.325658
C -1.745390 -3.117989 0.623983
C -0.275335 -2.782294 0.319865
C 2.239609 1.450351 0.090481
C -4.204113 0.389509 -1.190775
C -4.347938 -1.117344 -1.194817
C 2.628815 -1.391324 0.181929
C 3.543247 0.898178 -0.005134
C 3.726756 -0.515914 0.002696
C 5.639001 1.759178 0.902361
C 5.642979 -0.899765 -1.445659
H -0.416021 -0.139216 2.053764
H -0.359242 2.819728 1.183390
H -2.392017 -1.019801 2.299014
H -4.009341 0.513965 1.788351
H -2.774614 2.641893 2.036488
H -1.734530 1.388056 2.713202
H -1.610411 0.130436 -1.533420
H 0.097124 0.405112 -1.953301
H -0.131214 2.838988 -1.814880
H -1.696637 2.403039 -2.555227
H -3.732978 -2.316116 0.966581
H -3.608644 2.922752 -1.475240
H -3.713399 3.273121 0.259247
H -2.022617 -3.946480 -0.048649
H -1.785317 -3.515761 1.658012
H 2.130187 2.538131 0.032002
H -4.516113 0.903906 -2.111158
H -5.095432 -1.471591 -0.448233
H -4.668885 -1.465044 -2.190909
H 2.780873 -2.472143 0.189257
H 6.056790 0.743703 1.022049
H 5.184566 2.093682 1.854653
H 6.422373 2.467616 0.592135
H 5.744798 0.174920 -1.683737
H 5.039174 -1.403062 -2.224407
H 6.633086 -1.375484 -1.374539


