%chk=000116091.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116091

0 1
 O    2.781000      0.4389000      0.1001000    
 O    2.503900      -1.799100     -0.2926000    
 N   0.6573000     -0.3917000     -0.1944000    
 N   -2.186400      9.1100000E-02 -3.8400002E-02
 N   -4.080700     -0.3637000       1.150500    
 N   -4.169100       1.170600     -0.6302000    
 C  -0.3101000      -1.459000     -0.4383000    
 C   0.1185000      0.9557000      6.8999999E-03
 C   -1.616100      -1.211600      0.3087000    
 C   -1.283300       1.109600     -0.5747000    
 C   -3.507600      0.3392000      0.1235000    
 C    2.024100     -0.6771000     -0.1434000    
 C    4.196500      0.2350000      0.1751000    
 C    4.872000       1.562200      0.4473000    
 H   0.1163000      -2.425600     -0.1498000    
 H  -0.4854000      -1.487800      -1.520600    
 H   0.7928000       1.693800     -0.4399000    
 H   0.1059000       1.131300       1.089400    
 H   -2.313800      -2.019700      5.7900000E-02
 H   -1.423800      -1.246500       1.388300    
 H   -1.650500       2.115500     -0.3390000    
 H   -1.252000       1.016600      -1.666900    
 H   -5.069100     -0.2630000       1.356700    
 H   -3.544700     -0.9307000       1.796700    
 H    4.421500     -0.4676000      0.9851000    
 H    4.556700     -0.1756000     -0.7747000    
 H   -5.145900       1.190400     -0.3173000    
 H    5.957200       1.443200      0.5107000    
 H    4.640700       2.281700     -0.3451000    
 H    4.508000       1.994500       1.385200    


%chk=000116091-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000116091

0 1
O 2.700908 0.471611 0.098265
O 2.455074 -1.869664 -0.023111
N 0.650807 -0.409749 -0.415585
N -2.125732 0.041628 -0.041004
N -4.004714 -0.478875 1.294585
N -3.882595 1.604025 0.046661
C -0.302459 -1.508596 -0.650810
C 0.131265 0.983682 -0.457518
C -1.576484 -1.308899 0.193310
C -1.347420 0.970334 -0.880755
C -3.380588 0.442618 0.433029
C 1.961119 -0.709845 -0.110253
C 4.138607 0.256035 0.426176
C 4.754317 1.639474 0.613741
H 0.196447 -2.452185 -0.376631
H -0.568485 -1.565168 -1.724659
H 0.724004 1.586961 -1.169468
H 0.238174 1.448516 0.540301
H -2.311547 -2.091656 -0.090148
H -1.313202 -1.456479 1.264590
H -1.801808 1.966981 -0.755834
H -1.440993 0.706263 -1.954713
H -4.945923 -0.278836 1.618472
H -3.517862 -1.273446 1.701300
H 4.203937 -0.361937 1.340023
H 4.608470 -0.306376 -0.400987
H -4.777187 1.839689 0.510343
H 5.827731 1.540765 0.858618
H 4.661466 2.240307 -0.307237
H 4.258575 2.183422 1.436101


