%chk=000131960.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131960

0 1
 O  -0.5432000      0.4209000      -1.766800    
 O  -0.1635000      -3.417800       2.244300    
 O   -1.317600      -3.373500      0.2871000    
 N  -6.6500001E-02   2.386000     -0.7542000    
 C   -4.508700       1.042900     -0.3505000    
 C   -3.595500       2.217200      9.6000005E-03
 C   -5.021400      0.2752000      0.8731000    
 C   -3.076700       2.982500      -1.214200    
 C   -3.945800     -0.2963000       1.802000    
 C   -2.175600       2.183700      -2.163400    
 C   -3.049300      -1.337900       1.126100    
 C  -0.8936000       1.713100      -1.521700    
 C   -1.983500      -1.886300       2.070900    
 C   0.6241000      0.2716000      -1.080800    
 C   0.9098000       1.466300     -0.4682000    
 C    1.235100      -1.023500      -1.161200    
 C    2.049100       1.737000      0.3522000    
 C   -1.140100      -2.956800       1.424400    
 C    2.002900      -1.498900     -9.7999997E-02
 C    1.062800      -1.807400      -2.302100    
 C    3.334200       1.608000     -0.1746000    
 C    1.875400       2.130000       1.679300    
 C    2.598300      -2.757900     -0.1756000    
 C    1.658100      -3.066500      -2.379600    
 C    4.445800       1.871700      0.6258000    
 C    2.987100       2.393900       2.479600    
 C    2.426000      -3.541700      -1.316400    
 C    4.272300       2.264700       1.952700    
 H   -5.372600       1.418700     -0.9126000    
 H   -3.989900      0.3444000      -1.014500    
 H   -2.738100       1.872700      0.5964000    
 H   -4.150700       2.916400      0.6471000    
 H   -5.667300     -0.5414000      0.5273000    
 H   -5.661400      0.9445000       1.461800    
 H   -3.934000       3.361100      -1.784600    
 H   -2.529200       3.864800     -0.8585000    
 H   -4.450400     -0.7694000       2.654200    
 H   -3.335300      0.5095000       2.223500    
 H   -1.903500       2.825000      -3.010600    
 H   -2.718900       1.330400      -2.582800    
 H   -3.670700      -2.159800      0.7490000    
 H   -2.550300     -0.8973000      0.2552000    
 H   -1.319400      -1.074300       2.387500    
 H   -2.460000      -2.322100       2.955900    
 H    2.129800     -0.9370000      0.8220000    
 H   0.4756000      -1.459200      -3.148400    
 H    3.492600       1.311000      -1.208800    
 H   0.8806000       2.233600       2.106400    
 H    3.188000      -3.132200      0.6560000    
 H    1.524800      -3.676800      -3.268100    
 H    5.446400       1.772700      0.2153000    
 H    2.852300       2.699400       3.513000    
 H    2.887600      -4.522900      -1.375900    
 H   0.3778000      -4.113400       1.813600    
 H    5.137800       2.470300       2.575800    


%chk=000131960-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000131960

0 1
O -0.443806 0.617925 -1.315043
O -0.460028 -3.292621 1.358279
O -1.876488 -4.316963 -0.174735
N 0.260234 2.637088 -0.533514
C -4.529639 0.974747 -0.369952
C -3.569984 1.921007 0.390775
C -5.343891 0.022284 0.541698
C -2.970688 3.036498 -0.498949
C -4.498861 -0.917064 1.439157
C -2.035615 2.525400 -1.635111
C -3.495709 -1.792915 0.657220
C -0.730810 1.994017 -1.131436
C -2.816042 -2.847009 1.575869
C 0.860386 0.427364 -0.761510
C 1.290872 1.680062 -0.304735
C 1.347243 -0.954021 -0.752197
C 2.572562 2.134098 0.268677
C -1.721294 -3.579371 0.826602
C 2.305052 -1.397941 0.203932
C 0.823193 -1.897431 -1.682498
C 3.814176 1.527746 -0.067110
C 2.573880 3.257162 1.140905
C 2.739848 -2.738985 0.211849
C 1.253160 -3.240189 -1.665517
C 5.019917 2.014084 0.480451
C 3.780378 3.739201 1.689425
C 2.219209 -3.669858 -0.722249
C 5.009259 3.116611 1.367275
H -5.242606 1.590820 -0.956853
H -3.961908 0.375075 -1.108341
H -2.750773 1.339556 0.859573
H -4.125575 2.400138 1.222954
H -6.007181 -0.596523 -0.097025
H -6.009564 0.627623 1.191058
H -3.797444 3.605515 -0.969740
H -2.398649 3.751006 0.122881
H -5.188584 -1.574245 2.008144
H -3.947771 -0.321877 2.194976
H -1.818030 3.366784 -2.319673
H -2.535888 1.740104 -2.227198
H -4.006984 -2.316923 -0.173334
H -2.713585 -1.155921 0.200274
H -2.386118 -2.361974 2.467963
H -3.574027 -3.582024 1.905592
H 2.688803 -0.701263 0.954853
H 0.071093 -1.572751 -2.407620
H 3.840638 0.694223 -0.776873
H 1.620790 3.745106 1.367556
H 3.475672 -3.061876 0.956405
H 0.829371 -3.952580 -2.380213
H 5.969075 1.540517 0.205555
H 3.763604 4.602452 2.364051
H 2.563515 -4.709623 -0.718913
H 0.260163 -3.675498 0.779777
H 5.947047 3.492133 1.791614


