%chk=000127491.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000127491

0 1
 O    1.274700      -1.652700      -1.525800    
 O    5.056100      4.1400000E-02  2.0500001E-02
 O    4.736700       2.139600       1.164700    
 O   -4.051900       2.145200      -1.233100    
 O   -5.616600       1.109400      0.2779000    
 O    3.521600      -2.210000      -1.504600    
 N  -0.1909000      -2.226500      0.5460000    
 C   0.4362000     -0.5613000      -1.054800    
 C    1.409800      0.3251000     -0.3787000    
 C    2.676800     -0.2169000     -0.4958000    
 C  -0.5999000      -1.136200     -0.1414000    
 C   -1.869300     -0.5664000     -3.6800001E-02
 C    3.757800      0.4280000      3.9299998E-02
 C    1.209900       1.541300      0.2735000    
 C    2.599300      -1.471200      -1.223600    
 C   -2.789300      -1.180500      0.8555000    
 C    3.567900       1.625100      0.6905000    
 C   -2.244900      0.5700000     -0.7751000    
 C    2.313300       2.206000      0.8234000    
 C   -3.522900       1.060600     -0.6036000    
 C   -4.082100     -0.6468000      0.9993000    
 C   -4.415200      0.4696000      0.2583000    
 C   -2.381100      -2.309300       1.573200    
 C    5.675000       1.129800      0.7373000    
 C   -1.091700      -2.783300       1.383800    
 C   -5.379200       2.169900     -0.6700000    
 H   3.1599998E-02 -0.1085000      -1.963300    
 H   0.2200000       1.976500      0.3581000    
 H   -1.584000       1.086000      -1.460900    
 H    2.186000       3.152500       1.337900    
 H   -4.806200      -1.094500       1.673400    
 H   -3.047200      -2.813600       2.266700    
 H    6.422400       1.598500      8.6800002E-02
 H    6.181400      0.7250000       1.621100    
 H  -0.7393000      -3.656500       1.923300    
 H   -6.107700       2.082500      -1.484300    
 H   -5.528700       3.131500     -0.1656000    


%chk=000127491-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000127491

0 1
O 0.366102 0.362188 -1.428840
O 4.952216 -0.042741 -1.253224
O 5.872467 0.655650 0.855482
O -4.573526 1.014255 -2.318297
O -6.107772 -0.193301 -0.929590
O 2.035620 -0.370897 -2.891567
N -0.283222 -0.503728 1.914862
C 0.282804 0.897267 -0.019813
C 1.722445 0.894039 0.465662
C 2.549642 0.425010 -0.593110
C -0.729651 0.075052 0.779866
C -2.099596 -0.007947 0.329939
C 3.929186 0.361983 -0.378152
C 2.252348 1.300350 1.699724
C 1.732956 0.075500 -1.775150
C -3.033534 -0.745921 1.167272
C 4.459812 0.772895 0.864778
C -2.556122 0.609317 -0.891026
C 3.659806 1.244237 1.911350
C -3.895860 0.482277 -1.198974
C -4.420702 -0.857550 0.797546
C -4.814301 -0.238563 -0.372261
C -2.527707 -1.354615 2.358330
C 6.206994 0.019562 -0.446176
C -1.177919 -1.215531 2.685406
C -5.959280 0.488219 -2.245375
H -0.094524 1.934353 -0.130381
H 1.594150 1.628851 2.506749
H -1.862513 1.112174 -1.566317
H 4.106444 1.550461 2.860498
H -5.124647 -1.412528 1.422809
H -3.198349 -1.923531 3.010803
H 6.938919 0.646878 -0.978631
H 6.563565 -1.010615 -0.267631
H -0.762071 -1.670991 3.589929
H -6.108611 -0.252920 -3.050568
H -6.667171 1.330163 -2.292821


