%chk=000165890.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000165890

0 1
 O  -0.2199000       3.404200       1.253400    
 O    1.198700      0.4507000      -2.208000    
 O   -2.785200      -2.965200       1.376400    
 N   0.4723000       1.208800     -0.1399000    
 N   -3.492400      -1.479000     -0.2684000    
 N   -1.920900       3.958300     -0.1864000    
 N   -2.964900      -3.656600     -0.8053000    
 C   -1.929200       1.031700     -0.6860000    
 C  -0.6833000       1.923400     -0.6166000    
 C   -2.413500      0.5251000      0.6811000    
 C   -3.675800     -0.3260000      0.5699000    
 C  -0.8869000       3.158300      0.2510000    
 C    1.329800      0.5215000     -0.9889000    
 C    2.461800     -0.1872000     -0.3383000    
 C   -3.059000      -2.715100      0.2039000    
 C    2.998400      -1.296000     -0.9593000    
 C    2.940600      0.2863000      0.8656000    
 C    4.061500      -1.961400     -0.3488000    
 C    4.003800     -0.3791000       1.476000    
 C    4.564200      -1.503000      0.8688000    
 H   -1.703700      0.1737000      -1.331900    
 H   -2.749900       1.573200      -1.171800    
 H  -0.4623000       2.280100      -1.631200    
 H   -2.625400       1.370700       1.344800    
 H   -1.620000     -6.5899998E-02   1.154100    
 H   -3.985500     -0.6552000       1.567800    
 H   -4.494500      0.2615000      0.1410000    
 H   0.5926000       1.154400      0.8660000    
 H   -3.686500      -1.386000      -1.260800    
 H   -2.168100       4.805800      0.3138000    
 H   -2.450300       3.760100      -1.028900    
 H    2.615500      -1.668700      -1.904600    
 H    2.556600       1.176300       1.353000    
 H    4.497300      -2.837000     -0.8210000    
 H    4.401100     -1.7899999E-02   2.420200    
 H    5.393100      -2.020000       1.343400    
 H   -2.661100      -4.605000     -0.6122000    
 H   -3.194000      -3.431000      -1.767400    


%chk=000165890-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000165890

0 1
O 0.048702 3.515693 1.159631
O -0.088259 -0.337945 -1.880812
O -2.683633 -3.089666 1.365322
N 0.218561 1.348679 -0.299462
N -2.432299 -1.486877 -0.336698
N -1.727461 4.447838 -0.000664
N -1.037486 -3.365717 -0.273797
C -2.266455 1.545555 -0.790070
C -0.868008 2.234207 -0.736876
C -2.709095 0.838697 0.521130
C -3.380442 -0.531507 0.244116
C -0.812352 3.448309 0.228054
C 0.551729 0.150274 -0.879328
C 1.728660 -0.575142 -0.280597
C -2.091500 -2.667834 0.321104
C 2.416050 -1.503506 -1.104012
C 2.151971 -0.388997 1.061657
C 3.522099 -2.220110 -0.602320
C 3.253680 -1.114017 1.565041
C 3.945026 -2.026071 0.734257
H -2.208396 0.820556 -1.619420
H -3.021535 2.296227 -1.098584
H -0.647971 2.605905 -1.761391
H -3.408984 1.481045 1.089632
H -1.832197 0.661932 1.171834
H -3.750194 -0.985655 1.180170
H -4.252815 -0.392784 -0.428324
H 0.775613 1.747329 0.470354
H -1.866269 -1.191293 -1.139609
H -1.713790 5.267879 0.605483
H -2.428917 4.385582 -0.736021
H 2.069060 -1.641944 -2.133682
H 1.609939 0.286668 1.733905
H 4.053812 -2.926877 -1.248691
H 3.565446 -0.974945 2.605702
H 4.800688 -2.585875 1.127604
H -0.750918 -4.233378 0.169849
H -0.477060 -2.973435 -1.029989


