%chk=000079626.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079626

0 1
 O   -4.265700     -0.2288000       1.073100    
 N   -1.931500     -3.6400001E-02 -0.5442000    
 N   0.3984000      0.1774000     -0.7138000    
 N   0.3178000       1.510200     -0.6889000    
 N    1.481100       1.959900     -0.2307000    
 C   -1.846000     -0.1411000      0.9191000    
 C   -3.147800     -0.7051000      -1.026500    
 C  -0.7421000     -0.6042000      -1.175400    
 C   -3.102900      0.4460000       1.554900    
 C   -4.373800     -0.1038000     -0.3453000    
 C    1.595600     -0.2873000     -0.2809000    
 C    2.282200      0.8791000      2.7100001E-02
 C    2.135900      -1.562600     -0.1299000    
 C    3.593200      0.7984000      0.5190000    
 C    3.444300      -1.629500      0.3616000    
 C    4.161200     -0.4722000      0.6807000    
 H  -0.9935000      0.4011000       1.339700    
 H   -1.751000      -1.194100       1.216400    
 H   -3.100700      -1.780600     -0.8113000    
 H   -3.245200     -0.5796000      -2.110900    
 H  -0.7681000     -0.4910000      -2.265000    
 H  -0.5888000      -1.657600     -0.9201000    
 H   -3.068800      0.3123000       2.641000    
 H   -3.193500       1.520800       1.355600    
 H   -4.507300      0.9520000     -0.6108000    
 H   -5.275000     -0.6405000     -0.6588000    
 H    1.583400      -2.461300     -0.3772000    
 H    4.157000       1.691000      0.7692000    
 H    3.912500      -2.601300      0.4976000    
 H    5.176200     -0.5586000       1.060400    


%chk=000079626-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000079626

0 1
O -4.225035 -0.420174 1.177033
N -1.892503 -0.170337 -0.508929
N 0.456030 0.165896 -1.121195
N 0.673187 1.456943 -1.694159
N 1.869329 1.892216 -1.286676
C -1.782587 -0.734047 0.858658
C -3.236693 -0.396579 -1.098307
C -0.794547 -0.545796 -1.406507
C -2.895494 -0.157378 1.750017
C -4.310570 0.184176 -0.162637
C 1.548306 -0.201717 -0.347319
C 2.448222 0.908676 -0.454442
C 1.870175 -1.351025 0.415328
C 3.698474 0.899074 0.209368
C 3.117877 -1.346863 1.066251
C 4.019783 -0.239654 0.968863
H -0.801016 -0.460499 1.286720
H -1.861350 -1.851605 0.847118
H -3.447866 -1.483682 -1.256672
H -3.289368 0.113496 -2.078724
H -1.084190 -0.284942 -2.438287
H -0.554858 -1.637528 -1.375311
H -2.898148 -0.639819 2.741055
H -2.745772 0.937230 1.865850
H -4.180122 1.284674 -0.087685
H -5.323759 -0.048545 -0.529108
H 1.192496 -2.206544 0.498375
H 4.379752 1.750575 0.124004
H 3.409643 -2.216187 1.665936
H 4.977707 -0.287435 1.497081


