%chk=000125813.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000125813

0 1
 O   0.4746000      -2.344100      -1.377600    
 O   0.6233000      0.2563000      -2.145800    
 O    1.922000      -3.192300      0.7373000    
 N    2.836700      -1.109000      0.9605000    
 C   0.7973000      -1.383600     -0.3847000    
 C  -0.4169000      -1.146600      0.4989000    
 C   -1.614000     -0.6546000     -0.3144000    
 C   -2.843800     -0.4496000      0.5733000    
 C   -4.029300      7.9300001E-02 -0.2371000    
 C    1.146900     -9.1100000E-02  -1.092500    
 C    1.900700      -1.990500      0.4649000    
 C   -5.267900      0.3710000      0.6150000    
 C    2.134900      0.7764000     -0.4251000    
 C    2.938100      0.2392000      0.5814000    
 C   -6.427800      0.9684000     -0.1827000    
 C    2.282700       2.110800     -0.8139000    
 C    3.898800       1.043400       1.201400    
 C   -7.635700       1.227500      0.7048000    
 C    3.236500       2.910800     -0.1847000    
 C    4.043100       2.378400      0.8210000    
 H  -0.7014000      -2.078300       1.006300    
 H  -0.1867000     -0.4191000       1.288200    
 H   -1.393900      0.3066000     -0.7890000    
 H   -1.861500      -1.367500      -1.109400    
 H   -3.120300      -1.397100       1.051200    
 H   -2.604100      0.2598000       1.374600    
 H   -4.291100     -0.6474000      -1.016000    
 H   -3.730500       1.000800     -0.7522000    
 H   -4.993100       1.063300       1.420600    
 H   -5.596600     -0.5587000       1.096000    
 H    3.525700      -1.465100       1.617300    
 H   -6.712800      0.2848000     -0.9907000    
 H   -6.112400       1.909100     -0.6486000    
 H  -3.1000001E-03  -3.078000     -0.9546000    
 H    1.665800       2.542300      -1.597100    
 H    4.541200      0.6420000       1.981300    
 H   -7.994000      0.2991000       1.160900    
 H   -7.390100       1.932000       1.505900    
 H   -8.453600       1.654400      0.1160000    
 H    3.353500       3.949300     -0.4805000    
 H    4.787900       3.002800       1.306000    


%chk=000125813-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000125813

0 1
O 0.416064 -2.516158 -1.403053
O 0.884168 0.041608 -2.422070
O 1.945501 -3.277005 0.728395
N 2.756058 -1.121304 1.062397
C 0.830228 -1.473452 -0.486939
C -0.384870 -1.042177 0.433009
C -1.597170 -0.528182 -0.369050
C -2.844110 -0.360451 0.529439
C -4.053492 0.232676 -0.228196
C 1.297634 -0.224703 -1.264430
C 1.904315 -2.038172 0.465085
C -5.312144 0.383373 0.655375
C 2.197691 0.690862 -0.502633
C 2.900444 0.224823 0.647375
C -6.512706 1.008275 -0.091206
C 2.402433 2.021381 -0.945313
C 3.783885 1.088041 1.340010
C -7.767508 1.151227 0.797234
C 3.269930 2.886508 -0.253415
C 3.959737 2.412765 0.891901
H -0.671611 -1.947625 1.004556
H -0.054601 -0.277559 1.164123
H -1.357242 0.441102 -0.848169
H -1.810490 -1.240191 -1.188003
H -3.126558 -1.345637 0.956163
H -2.599157 0.294858 1.392497
H -4.290805 -0.410892 -1.100594
H -3.774906 1.224482 -0.641790
H -5.067813 1.008712 1.540175
H -5.605964 -0.611713 1.050774
H 3.394933 -1.492038 1.772482
H -6.754513 0.386276 -0.977301
H -6.219308 2.003887 -0.482472
H 0.611700 -3.381931 -0.944766
H 1.864609 2.344934 -1.842922
H 4.330432 0.725348 2.218557
H -8.097878 0.165937 1.177481
H -7.562008 1.795801 1.673017
H -8.611079 1.598164 0.239418
H 3.414915 3.915734 -0.595587
H 4.640354 3.077617 1.434649


