%chk=000169976.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000169976

0 1
 O   -2.886500       2.100800     -0.7881000    
 O   -2.510900      -2.250400       1.178000    
 O   -4.086300     -0.1722000      0.2455000    
 N    1.479700      0.2162000      3.9999999E-02
 N    3.662900     -0.5520000     -0.8927000    
 N    3.546700      0.6497000       1.134900    
 N    1.576500       1.435800       2.063100    
 N    5.587600     -0.1747000      0.3213000    
 C    2.208200     -0.4063000      -1.088600    
 C   7.4400000E-02  0.1180000      9.1799997E-02
 C    1.704100      -1.836200      -1.363400    
 C    2.060100      0.4448000      -2.361800    
 C    2.243500      0.7494000       1.073100    
 C  -0.5463000      -1.029200      0.6143000    
 C  -0.7360000       1.165600     -0.3776000    
 C    4.230100     -3.8800001E-02  0.1548000    
 C   -2.126400       1.068900     -0.3259000    
 C   -1.936900      -1.125900      0.6660000    
 C   -2.727000     -7.6800004E-02  0.1959000    
 C   -3.241200       3.115100      0.1496000    
 C   -2.790600      -3.308800      0.2640000    
 C   -4.785900     -9.3099996E-02 -0.9942000    
 H    2.303300      -2.313200      -2.149500    
 H    1.796900      -2.468300     -0.4730000    
 H   0.6652000      -1.858300      -1.707800    
 H    2.641600      2.6900001E-02  -3.191900    
 H    1.016600      0.5092000      -2.687900    
 H    2.418500       1.466800      -2.191200    
 H   5.6699999E-02  -1.846000       1.004800    
 H  -0.2750000       2.063200     -0.7851000    
 H    2.088000       1.850200       2.835000    
 H   0.5712000       1.561600       2.066300    
 H    6.153800     -0.6691000     -0.3594000    
 H    6.059700      0.2148000       1.129900    
 H   -2.344500       3.609100      0.5370000    
 H   -3.823100       2.691900      0.9743000    
 H   -3.855200       3.858500     -0.3660000    
 H   -1.866400      -3.669400     -0.1990000    
 H   -3.492700      -2.978100     -0.5076000    
 H   -3.246400      -4.131400      0.8216000    
 H   -4.171700     -0.4240000      -1.839000    
 H   -5.142700      0.9273000      -1.159100    
 H   -5.658400     -0.7499000     -0.9303000    


%chk=000169976-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000169976

0 1
O -2.745909 2.018298 -1.004395
O -2.368485 -2.593918 0.784689
O -4.044899 -0.433832 -0.191168
N 1.631329 0.052194 -0.020835
N 3.823360 -0.636530 -0.955284
N 3.650970 0.531704 1.198856
N 1.582088 1.064393 2.129970
N 5.658310 -0.419970 0.488833
C 2.462408 -0.202539 -1.302628
C 0.193055 -0.042690 -0.029355
C 1.795527 -1.319303 -2.127929
C 2.525355 1.121772 -2.115245
C 2.316720 0.548449 1.080516
C -0.432616 -1.224734 0.431660
C -0.599161 1.048964 -0.467690
C 4.328726 -0.179787 0.184207
C -2.004711 0.932586 -0.487477
C -1.840736 -1.349108 0.406850
C -2.640715 -0.278806 -0.089583
C -3.754238 2.601624 -0.088016
C -3.488351 -2.599928 1.753188
C -4.522914 -0.547957 -1.593690
H 2.431937 -1.509109 -3.007794
H 1.738732 -2.251188 -1.540914
H 0.784276 -1.037904 -2.469360
H 3.171187 0.968658 -2.997300
H 1.522576 1.431734 -2.462435
H 2.966138 1.927148 -1.500695
H 0.166267 -2.064496 0.793672
H -0.140769 1.985490 -0.796731
H 2.102328 1.349260 2.955452
H 0.574721 1.184039 2.074018
H 6.235791 -0.921521 -0.179144
H 6.007468 -0.150414 1.403133
H -3.251434 3.052835 0.788507
H -4.478400 1.836772 0.242542
H -4.257090 3.385887 -0.673709
H -4.353090 -2.041092 1.360858
H -3.157403 -2.165482 2.716202
H -3.736407 -3.663212 1.890093
H -4.086031 -1.444777 -2.069481
H -4.254067 0.357909 -2.166027
H -5.616642 -0.649720 -1.524265


