%chk=000155176.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000155176

0 1
 O  -0.2386000      -1.362000      -2.134900    
 O   -1.792800      -1.979100      0.9323000    
 O   -1.678600      -3.306500     -0.9550000    
 N    2.662000       1.449000      0.9203000    
 N  -0.5273000     -3.5500001E-02 -0.2552000    
 C    2.257000     -0.8844000     -3.2299999E-02
 C    1.737300      0.2869000      0.8399000    
 C    1.118400      -1.937700     -0.1908000    
 C   0.3803000      0.7351000      0.4092000    
 C    2.746300     -0.3616000      -1.402200    
 C  -0.2333000      -1.390900     -0.7141000    
 C    3.433800      -1.585400      0.6916000    
 C    3.716200      0.8093000      -1.248100    
 C    3.113200       1.925600     -0.3960000    
 C  -0.1297000       1.998600      0.5816000    
 C    2.048200       2.546500       1.714100    
 C   0.6937000       3.088100       1.179400    
 C   -1.662800      0.7185000     -0.5054000    
 C   -1.436000       2.000500      2.5800001E-02
 C    3.965800      -2.725200     -0.1410000    
 C   -1.310300      -2.348900     -0.2881000    
 C   -2.860900      0.4013000      -1.166900    
 C   -2.438700       2.983300     -0.1056000    
 C   -3.840900       1.392000      -1.276400    
 C   -3.635600       2.664200     -0.7530000    
 C   -2.831100      -2.810300       1.460800    
 C   -3.255600      -2.271200       2.810000    
 H    1.619900     -9.5600002E-02   1.865300    
 H   0.9567000      -2.413600      0.7873000    
 H    1.424400      -2.731800     -0.8815000    
 H    1.891800      1.3600000E-02  -1.978700    
 H    3.179000      -1.139200      -2.036500    
 H    3.099900      -1.978200       1.660600    
 H    4.247600     -0.8876000      0.9165000    
 H    4.662500      0.4706000     -0.8119000    
 H    3.960700       1.207300      -2.240300    
 H    3.878600       2.698500     -0.2556000    
 H    2.297300       2.390700     -0.9624000    
 H    2.757500       3.376700       1.820500    
 H    1.892000       2.169300       2.734100    
 H   0.8852000       3.845600      0.4097000    
 H   0.1469000       3.575500       1.994100    
 H    3.233300      -3.504600     -0.3577000    
 H    4.442400      -2.404600      -1.069900    
 H    4.759000      -3.224200      0.4305000    
 H   -1.121600      -1.117700      -2.455200    
 H   -3.045100     -0.5841000      -1.580900    
 H   -2.287600       3.984400      0.2887000    
 H   -4.776800       1.163300      -1.779700    
 H   -4.409900       3.420100     -0.8524000    
 H   -3.685700      -2.806200      0.7750000    
 H   -2.457900      -3.834500       1.571600    
 H   -4.051000      -2.883600       3.243700    
 H   -2.406600      -2.251600       3.501400    
 H   -3.613100      -1.240300       2.717100    


%chk=000155176-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000155176

0 1
O -0.216301 -1.409375 -2.163290
O -1.723190 -2.296834 1.051601
O -2.289856 -2.773411 -1.152913
N 2.671695 1.491894 0.876690
N -0.583929 0.060518 -0.285297
C 2.181547 -0.872007 0.005361
C 1.707633 0.344973 0.859370
C 0.974062 -1.858955 -0.055589
C 0.360837 0.844633 0.402652
C 2.618279 -0.373075 -1.400681
C -0.331166 -1.321506 -0.709880
C 3.349487 -1.570536 0.774993
C 3.661141 0.762211 -1.296490
C 3.085907 1.937932 -0.483302
C -0.095484 2.148243 0.536823
C 2.103825 2.601389 1.697350
C 0.771770 3.227275 1.143419
C -1.683559 0.884990 -0.614493
C -1.398908 2.204461 -0.100037
C 4.093740 -2.690726 0.017876
C -1.551068 -2.211608 -0.302890
C -2.874213 0.599366 -1.316503
C -2.348489 3.240559 -0.291846
C -3.800603 1.650475 -1.491418
C -3.542772 2.956082 -0.984341
C -2.920245 -3.072424 1.532230
C -2.919692 -2.976391 3.052216
H 1.633770 -0.006667 1.912519
H 0.736397 -2.170915 0.979451
H 1.248970 -2.760047 -0.631315
H 1.734698 -0.003449 -1.952509
H 3.010909 -1.219195 -1.993667
H 2.934059 -1.988060 1.716494
H 4.068915 -0.788775 1.082067
H 4.593124 0.402960 -0.820479
H 3.926849 1.121702 -2.309015
H 3.847715 2.730043 -0.351334
H 2.236411 2.379769 -1.059046
H 2.872962 3.389910 1.796340
H 1.913934 2.191849 2.708240
H 0.996017 4.002592 0.381870
H 0.256979 3.751927 1.973194
H 3.408662 -3.481932 -0.339960
H 4.641076 -2.299704 -0.858575
H 4.835771 -3.171758 0.681455
H -1.041992 -1.855471 -2.505183
H -3.086238 -0.392341 -1.726779
H -2.154146 4.248897 0.091129
H -4.732808 1.457548 -2.034250
H -4.284154 3.747818 -1.140935
H -3.817151 -2.619686 1.073721
H -2.820945 -4.109131 1.163910
H -3.790216 -3.523736 3.457144
H -2.003309 -3.418670 3.478443
H -2.987307 -1.925230 3.378864


