%chk=000162755.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162755

0 1
 O    3.198500       1.330000     -0.7747000    
 O   -1.998000      -2.485400     -0.7308000    
 O   -4.324300      -1.644900      0.5373000    
 N    1.458700      0.9985000      0.7250000    
 N    4.924000      -2.379500      0.3478000    
 C  -0.2615000       2.076300     -0.6839000    
 C   0.7628000       2.230000      0.4377000    
 C   -1.345600       1.078400     -0.3583000    
 C    3.166200     -0.6882000      0.5635000    
 C   -1.168300     -0.2536000     -0.6986000    
 C   -2.500200       1.511600      0.2746000    
 C    2.637300      0.6510000      8.1000000E-02
 C    4.462400      -1.084200     -0.1357000    
 C   -2.170800      -1.175600     -0.3983000    
 C   -3.502900      0.5896000      0.5748000    
 C   -3.338100     -0.7540000      0.2384000    
 H  -0.7162000       3.052400     -0.8957000    
 H   0.2403000       1.775800      -1.613200    
 H    1.493200       2.999900      0.1654000    
 H   0.2750000       2.544900       1.366900    
 H    1.062400      0.3722000       1.420000    
 H    3.324400     -0.6211000       1.647100    
 H    2.392000      -1.444300      0.3821000    
 H  -0.2591000     -0.5795000      -1.197000    
 H   -2.636600       2.555400      0.5423000    
 H    5.237000     -0.3300000      4.3299999E-02
 H    4.306100      -1.140400      -1.218700    
 H   -4.407000      0.9315000       1.071600    
 H    5.102600      -2.328400       1.350000    
 H    5.816000      -2.605500     -9.0200000E-02
 H   -1.132300      -2.591600      -1.161500    
 H   -5.054200      -1.174300      0.9753000    


%chk=000162755-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000162755

0 1
O 3.475605 1.483280 -0.745302
O -2.586197 -2.472886 -0.866597
O -4.420938 -1.641196 0.941229
N 1.494167 0.861656 0.309514
N 5.296764 -2.201800 0.575392
C -0.368776 2.046801 -0.910106
C 0.817217 2.147216 0.093563
C -1.466368 1.104209 -0.438078
C 3.294388 -0.817188 0.102767
C -1.516401 -0.239041 -0.894255
C -2.436455 1.526603 0.502865
C 2.779097 0.603725 -0.148394
C 4.780266 -0.820179 0.527223
C -2.500710 -1.142080 -0.433155
C -3.422831 0.630374 0.973192
C -3.465730 -0.705394 0.516473
H -0.776270 3.067149 -1.046720
H 0.032279 1.721466 -1.887517
H 1.583361 2.839744 -0.296157
H 0.450238 2.537671 1.062550
H 0.968483 0.109874 0.759859
H 2.672641 -1.341850 0.855922
H 3.224647 -1.393772 -0.839510
H -0.781454 -0.582080 -1.635885
H -2.430364 2.560828 0.865494
H 4.885034 -0.259504 1.486424
H 5.344555 -0.254376 -0.233806
H -4.173229 0.973619 1.697863
H 4.913136 -2.771778 1.335742
H 6.316311 -2.274401 0.520759
H -1.894440 -2.656211 -1.550615
H -5.044227 -1.223478 1.586763


