%chk=000163844.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163844

0 1
 O  -0.8281000       2.757200     -0.3074000    
 O   -6.235300      -1.154600     -1.2500000E-02
 N   0.1280000     -0.5550000      0.2753000    
 N  -0.8762000      0.3963000      3.7799999E-02
 N    3.432900       1.953100      8.2199998E-02
 C    2.631700     -0.3445000      0.3672000    
 C    2.917100      -1.800300      0.6098000    
 C    3.704300      -2.448700     -0.5292000    
 C    5.204700      -2.161700     -0.4869000    
 C    5.586500     -0.6956000     -0.6876000    
 C    5.104000      0.2254000      0.4319000    
 C    3.655000      0.6160000      0.2896000    
 C    1.339900      0.1354000      0.2070000    
 C    1.121700       1.489300      1.5000000E-02
 C  -0.3219000       1.667600     -0.1136000    
 C    2.159800       2.375000     -5.1199999E-02
 C   -2.236900      2.6000000E-03  2.5500000E-02
 C   -3.248800      0.9536000     -0.1585000    
 C   -2.587700      -1.342800      0.1972000    
 C   -4.588600      0.5659000     -0.1707000    
 C   -3.927500      -1.730400      0.1849000    
 C   -4.928000     -0.7761000      1.0000000E-03
 C   -7.206700     -0.1278000     -0.2068000    
 H    3.440600      -1.917500       1.566600    
 H    1.975800      -2.350600      0.7246000    
 H    3.577900      -3.536200     -0.4522000    
 H    3.292800      -2.154100      -1.502700    
 H    5.620100      -2.522000      0.4626000    
 H    5.687300      -2.751400      -1.276300    
 H    5.227800     -0.3440000      -1.662800    
 H    6.682400     -0.6450000     -0.7194000    
 H    5.711800       1.139200      0.4062000    
 H    5.273500     -0.2227000       1.418100    
 H   6.1299998E-02  -1.471200     -0.1480000    
 H    2.020600       3.435900     -0.2127000    
 H   -3.037600       2.007800     -0.2956000    
 H   -1.847200      -2.121900      0.3508000    
 H   -5.315100       1.357800     -0.3183000    
 H   -4.186600      -2.777000      0.3205000    
 H   -7.099400      0.3474000      -1.187800    
 H   -7.191700      0.6004000      0.6112000    
 H   -8.191200     -0.6068000     -0.1899000    


%chk=000163844-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163844

0 1
O -0.962467 2.868891 -0.161971
O -6.289743 -1.181107 0.157026
N 0.129359 -0.510652 0.239651
N -0.883044 0.477869 0.010205
N 3.512633 1.953511 0.287730
C 2.670209 -0.377477 0.365650
C 2.921365 -1.871935 0.478050
C 3.739462 -2.479920 -0.698619
C 5.260470 -2.200513 -0.627763
C 5.673498 -0.711710 -0.702557
C 5.173052 0.163370 0.481659
C 3.718527 0.587527 0.376767
C 1.367239 0.157357 0.238970
C 1.137129 1.553570 0.125405
C -0.307986 1.793887 -0.032791
C 2.242644 2.424839 0.167044
C -2.252921 0.094469 0.055417
C -3.255293 0.976430 -0.423093
C -2.626118 -1.178923 0.568435
C -4.610113 0.587179 -0.396493
C -3.975831 -1.568082 0.580806
C -4.976594 -0.690125 0.096476
C -7.360566 -0.301453 -0.318886
H 3.458728 -2.087693 1.424535
H 1.952689 -2.402862 0.558673
H 3.589225 -3.577923 -0.693813
H 3.333120 -2.106535 -1.659901
H 5.654860 -2.630571 0.317345
H 5.758189 -2.751219 -1.450863
H 5.326084 -0.268203 -1.656559
H 6.779956 -0.662888 -0.718677
H 5.765813 1.091704 0.537977
H 5.341127 -0.394074 1.427417
H -0.005040 -1.384853 -0.280624
H 2.114322 3.509905 0.098390
H -2.969329 1.964424 -0.789779
H -1.872432 -1.846754 0.997089
H -5.363732 1.289345 -0.764723
H -4.278097 -2.541990 0.977015
H -7.231830 -0.054244 -1.390652
H -7.408027 0.632114 0.274765
H -8.287534 -0.876686 -0.179830


