%chk=000048507.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048507

1 1
 O   -2.865000      -2.133700      3.0000001E-04
 N    1.475900      4.8000002E-03  3.3000000E-03
 C    1.956800      -1.444800      1.6700000E-02
 C  -5.1199999E-02  0.1077000      3.0000001E-04
 C    2.011700      0.6949000       1.254400    
 C    2.015600      0.6723000      -1.258500    
 C  -0.6015000       1.345500     -1.4000000E-03
 C    3.469400      -1.468300     -9.3999999E-03
 C  -0.7299000      -1.067100      1.3000000E-03
 C   -1.994400       1.419600     -2.6000000E-03
 C   0.1904000       2.611900     -2.7000001E-03
 C   -2.122700     -0.9930000      1.9999999E-04
 C   -2.755000      0.2503000     -1.8000000E-03
 H    1.601500      -1.933400      0.9322000    
 H    1.582100      -1.958100     -0.8773000    
 H    2.199700     -6.8099998E-02   2.019600    
 H    2.950700       1.210300       1.032000    
 H    1.296300       1.375700       1.718400    
 H    1.359300       1.436300      -1.673700    
 H    3.010600       1.086400      -1.070300    
 H    2.089300     -9.0700001E-02  -2.043400    
 H    3.805000      -2.511200      3.9999999E-02
 H    3.892600      -1.059700     -0.9314000    
 H    3.933200     -0.9585000      0.8393000    
 H  -0.3103000      -2.062900      5.5000000E-03
 H   -2.498000       2.382800     -4.4000000E-03
 H  -0.1130000       3.210200      0.8665000    
 H    1.276300       2.602000      2.1100000E-02
 H  -8.1000000E-02   3.190600     -0.8954000    
 H   -3.839400      0.3216000     -3.0000000E-03
 H   -3.808200      -1.896000     -6.9999998E-04


%chk=000048507-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000048507

1 1
O -2.764832 -2.253852 0.134256
N 1.553210 0.045897 0.019822
C 2.028079 -1.442436 -0.072181
C 0.007830 0.162858 0.005108
C 2.075682 0.618395 1.344703
C 2.147748 0.787070 -1.182142
C -0.642896 1.438610 -0.026132
C 3.546434 -1.652881 -0.114574
C -0.733691 -1.035185 0.062614
C -2.065529 1.407201 0.003080
C -0.027797 2.833432 -0.138071
C -2.146037 -1.009383 0.082202
C -2.825818 0.226819 0.053969
H 1.608023 -1.949329 0.810844
H 1.559310 -1.853565 -0.981152
H 1.733607 -0.035947 2.160174
H 3.173838 0.657267 1.318510
H 1.672640 1.625095 1.498043
H 1.835716 1.834838 -1.169487
H 3.243835 0.734245 -1.129551
H 1.783983 0.301839 -2.100090
H 3.713469 -2.745074 -0.117938
H 4.023573 -1.261077 -1.026931
H 4.073172 -1.259204 0.770185
H -0.285962 -2.027051 0.092285
H -2.594941 2.365696 -0.018589
H -0.735981 3.574096 0.267859
H 0.919548 2.987604 0.403264
H 0.142916 3.115010 -1.195249
H -3.920106 0.276933 0.074242
H -3.752224 -2.190518 0.146027