%chk=000137588.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000137588

0 1
 O    5.496100      0.4579000     -0.2020000    
 O   -5.449300     -0.3433000     -0.5021000    
 O    5.230000      -1.789900     -0.5664000    
 O   -5.389100       1.566200      0.8055000    
 N    1.269700     -0.8832000      0.7213000    
 N   -1.373100     -0.7518000      0.1382000    
 C    1.309800      0.3878000      0.2461000    
 C    2.562700      0.6744000     -0.1920000    
 C    3.341600     -0.4889000      2.5599999E-02
 C    2.516900      -1.436300      0.5908000    
 C   -1.133600      0.5994000      0.2464000    
 C   9.0099998E-02   1.137200      0.2971000    
 C   -2.407200       1.299100      0.2931000    
 C   -3.405400      0.4107000      0.2161000    
 C   -2.671000     -0.8590000      0.1203000    
 C    3.033900       1.945400     -0.7819000    
 C    2.781600      -2.821600       1.026500    
 C    4.732200     -0.6900000     -0.2710000    
 C   -2.501500       2.783000      0.4103000    
 C   -3.376600      -2.172100      1.3000000E-02
 C   -4.839400      0.6332000      0.2248000    
 C    6.893600      0.3287000     -0.4863000    
 C   -6.875600     -0.2602000     -0.5887000    
 C    7.550300       1.686600     -0.3586000    
 C   -7.386700      -1.413200      -1.425900    
 H   0.4687000      -1.356500       1.118600    
 H   0.1964000       2.217900      0.3467000    
 H    3.641300       1.763400      -1.674700    
 H    2.201000       2.586400      -1.088600    
 H    3.635600       2.504900     -5.8300000E-02
 H    3.670300      -2.864000       1.664500    
 H    1.944500      -3.235400       1.598600    
 H    2.948400      -3.469600      0.1601000    
 H   -1.956100       3.268600     -0.4062000    
 H   -3.530900       3.146800      0.3620000    
 H   -2.075800       3.120900       1.360900    
 H   -2.672000      -2.985300      0.2124000    
 H   -3.771800      -2.298600     -0.9984000    
 H   -4.185800      -2.236600      0.7450000    
 H    7.345900     -0.3712000      0.2249000    
 H    7.023200     -5.2200001E-02  -1.505200    
 H   -7.305100     -0.3136000      0.4179000    
 H   -7.157700      0.6905000      -1.054500    
 H    7.411900       2.088000      0.6508000    
 H    7.093100       2.401900      -1.050200    
 H    8.621300       1.624900     -0.5707000    
 H   -8.476400      -1.381300      -1.512400    
 H   -6.950800      -1.382900      -2.430000    
 H   -7.094600      -2.370500     -0.9818000    


%chk=000137588-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000137588

0 1
O 5.624796 0.492172 0.026838
O -5.623590 -0.486258 -0.214214
O 5.426771 -1.830781 0.137756
O -5.413822 1.830487 -0.308287
N 1.230420 -0.970442 -0.012730
N -1.391257 -0.709384 -0.093720
C 1.323630 0.438129 -0.077861
C 2.709679 0.785305 -0.059304
C 3.430498 -0.454691 0.018075
C 2.469984 -1.529061 0.045703
C -1.148795 0.701489 -0.151379
C 0.146319 1.229482 -0.143809
C -2.410390 1.425924 -0.214805
C -3.415928 0.434003 -0.195322
C -2.728762 -0.873626 -0.120008
C 3.259326 2.183377 -0.112413
C 2.685653 -3.008898 0.121795
C 4.874640 -0.697282 0.067083
C -2.555874 2.922261 -0.280509
C -3.338696 -2.242945 -0.073349
C -4.859840 0.697210 -0.244729
C 7.106317 0.312370 0.072780
C -7.102188 -0.290720 -0.261203
C 7.723610 1.705796 0.001471
C -7.735179 -1.677653 -0.196774
H 0.247118 -1.373122 -0.019127
H 0.263497 2.317565 -0.190661
H 3.911809 2.318839 -0.993257
H 2.452905 2.935280 -0.153234
H 3.893423 2.392783 0.766992
H 3.285892 -3.271355 1.010136
H 1.723415 -3.547269 0.156674
H 3.270473 -3.365003 -0.744782
H -2.003603 3.339215 -1.144359
H -3.615692 3.202303 -0.369375
H -2.145346 3.401072 0.629741
H -2.541767 -3.002841 -0.025919
H -3.973263 -2.425602 -0.958665
H -4.005510 -2.351339 0.800608
H 7.365616 -0.217656 1.007371
H 7.407996 -0.327968 -0.776007
H -7.398683 0.349812 0.589333
H -7.354827 0.246280 -1.193740
H 7.394856 2.328212 0.851579
H 7.440248 2.216316 -0.935123
H 8.825764 1.628131 0.034330
H -8.836416 -1.587787 -0.231653
H -7.411302 -2.300341 -1.048592
H -7.459326 -2.195191 0.738244


