%chk=000057572.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057572

0 1
 O  -2.7100001E-02  0.9311000     -0.4172000    
 O   -1.600600       2.007900      0.8820000    
 N   -4.312100      -1.166400      3.5599999E-02
 C   -5.644400      -1.077200      0.6157000    
 C   -5.404500     -0.7377000     -0.8263000    
 C   -3.498600     -2.6000001E-02  0.4384000    
 C   -2.117400     -0.1060000     -0.2051000    
 C   -1.252700       1.076600      0.1691000    
 C   0.9105000       1.979800     -0.1534000    
 C    2.225900       1.686600     -0.8666000    
 C    2.867100      0.4077000     -0.3854000    
 C    3.753700      0.4508000      0.6791000    
 C    2.558200     -0.7869000      -1.016500    
 C    4.346300     -0.7309000       1.123900    
 C    3.150900      -1.968600     -0.5718000    
 C    4.044900      -1.940700      0.4984000    
 H   -6.121700      -2.021800      0.8406000    
 H   -5.859100     -0.2718000       1.306000    
 H   -5.475400      0.2972000      -1.134000    
 H   -5.719100      -1.456400      -1.572300    
 H   -3.367900     -5.1399998E-02   1.529200    
 H   -3.949600      0.9516000      0.2162000    
 H   -2.214300     -0.1179000      -1.297300    
 H   -1.605700      -1.020200      0.1182000    
 H   0.5022000       2.927400     -0.5233000    
 H    1.070900       2.058100      0.9288000    
 H    2.919300       2.525000     -0.7264000    
 H    2.050700       1.610100      -1.947500    
 H    3.993000       1.387800       1.173700    
 H    1.863600     -0.8204000      -1.851100    
 H    5.042000     -0.7093000       1.957700    
 H    2.916100      -2.910600      -1.058700    
 H    4.506200      -2.860800      0.8449000    


%chk=000057572-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057572

0 1
O -0.111494 1.012821 -0.402144
O -1.479708 1.865258 1.280495
N -4.420088 -1.145154 0.182419
C -5.907558 -0.985199 0.361678
C -5.290711 -0.890531 -1.026594
C -3.589071 0.006077 0.631154
C -2.233327 -0.055726 -0.090403
C -1.283744 1.038670 0.359146
C 0.930254 2.020518 -0.041818
C 2.187841 1.692841 -0.862597
C 2.900369 0.421932 -0.418174
C 4.033738 0.492111 0.431945
C 2.435293 -0.855846 -0.824471
C 4.686927 -0.682765 0.870237
C 3.086212 -2.032138 -0.389838
C 4.214530 -1.950310 0.459564
H -6.444226 -1.889192 0.665132
H -6.279221 -0.052163 0.808393
H -5.254365 0.106212 -1.489863
H -5.379046 -1.726071 -1.727685
H -3.436843 -0.087177 1.720915
H -4.073052 0.995495 0.448303
H -2.363125 0.008816 -1.187179
H -1.758743 -1.037065 0.100581
H 0.534203 3.023442 -0.286659
H 1.113644 1.969360 1.046068
H 2.871947 2.558181 -0.767459
H 1.895872 1.627058 -1.927561
H 4.410126 1.472932 0.749925
H 1.556362 -0.922594 -1.475156
H 5.562841 -0.608980 1.524898
H 2.715108 -3.011354 -0.713576
H 4.720354 -2.862759 0.794927


