%chk=000079732.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079732

0 1
 O   -4.389100      -1.382600      0.4413000    
 N   -5.493000      0.6480000      0.2532000    
 N   -6.837100      -1.074600     -0.7584000    
 N   -7.745200      0.9558000     -0.2524000    
 C    3.199600     -0.3780000      0.1196000    
 C    1.955700      0.5067000      2.1400001E-02
 C    4.481000      0.4431000     -4.2300001E-02
 C   0.6745000     -0.3189000      0.1506000    
 C    5.722200     -0.4492000      2.3200000E-02
 C  -0.5689000      0.5694000      8.5400000E-02
 C    7.037500      0.3261000     -0.1017000    
 C   -1.850200     -0.2597000      0.1813000    
 C    8.310300     -0.5236000     -0.1279000    
 C   -3.091600      0.6292000      0.1497000    
 C    9.588200      0.2973000     -0.1996000    
 C   -4.380200     -0.1645000      0.2829000    
 C   -6.613700      0.1755000     -0.2263000    
 H    3.160400      -1.152200     -0.6565000    
 H    3.211000     -0.8916000       1.088600    
 H    1.954500       1.036100     -0.9392000    
 H    1.985100       1.268000      0.8103000    
 H    4.462900      0.9729000      -1.002200    
 H    4.533200       1.203200      0.7464000    
 H   0.6837000     -0.8669000       1.100700    
 H   0.6371000      -1.064800     -0.6527000    
 H    5.672000      -1.195500     -0.7792000    
 H    5.725800      -1.002900      0.9702000    
 H  -0.5401000       1.299700      0.9032000    
 H  -0.5690000       1.135500     -0.8540000    
 H    7.103600       1.036100      0.7325000    
 H    7.004500      0.9296000      -1.017800    
 H   -1.889700     -0.9794000     -0.6457000    
 H   -1.839700     -0.8452000       1.109100    
 H    8.343000      -1.150800      0.7709000    
 H    8.273400      -1.202900     -0.9877000    
 H   -3.128900       1.183100     -0.7954000    
 H   -3.053900       1.351700      0.9733000    
 H    9.606300      0.9123000      -1.104900    
 H    9.676000      0.9595000      0.6675000    
 H    10.46270     -0.3606000     -0.2163000    
 H   -7.751900      -1.341200      -1.106100    
 H   -6.101300      -1.769500     -0.8205000    
 H   -8.622100      0.6060000     -0.6228000    
 H   -7.734600       1.906000      0.1022000    


%chk=000079732-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000079732

0 1
O -4.497809 -1.426792 -0.026081
N -5.601022 0.688213 -0.123335
N -7.095664 -1.205022 -0.085987
N -7.895900 1.025638 -0.182350
C 3.252395 -0.383753 -0.033699
C 1.983899 0.499074 -0.035639
C 4.566407 0.429832 -0.020230
C 0.670404 -0.314995 -0.048955
C 5.834753 -0.453429 -0.019250
C -0.598772 0.566732 -0.053601
C 7.148924 0.359849 -0.007174
C -1.906094 -0.256009 -0.065417
C 8.417035 -0.524442 -0.005912
C -3.161080 0.634582 -0.075164
C 9.725092 0.296373 0.005851
C -4.478700 -0.133168 -0.073544
C -6.839704 0.141075 -0.128663
H 3.239819 -1.044334 -0.926083
H 3.229000 -1.056143 0.849596
H 2.007065 1.171275 -0.919258
H 1.996314 1.159874 0.856735
H 4.589357 1.102637 -0.903292
H 4.579060 1.089980 0.872525
H 0.645727 -0.986043 0.835127
H 0.658340 -0.977139 -0.940010
H 5.821236 -1.114303 -0.911498
H 5.812124 -1.125639 0.864293
H -0.585626 1.229689 0.837582
H -0.573831 1.237173 -0.938899
H 7.163727 1.020895 0.884968
H 7.173201 1.031916 -0.890835
H -1.923013 -0.923145 -0.949045
H -1.938987 -0.925678 0.815481
H 8.391663 -1.195377 0.877221
H 8.400744 -1.184704 -0.897269
H -3.166255 1.306063 -0.957087
H -3.170631 1.312901 0.802245
H 9.788515 0.952460 -0.883031
H 9.778473 0.942633 0.902570
H 10.616362 -0.358205 0.007268
H -8.036515 -1.594368 -0.096832
H -6.231286 -1.786618 -0.047173
H -8.869214 0.732876 -0.181210
H -7.655536 2.013768 -0.211038


