%chk=000010172.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010172

0 1
 O    3.724500      0.5555000     -0.1318000    
 O    4.199600      -1.416400      -1.097200    
 N   -1.587100       1.445300     -0.2638000    
 C   -1.505400      8.1200004E-02 -4.7200002E-02
 C   -2.917500       1.758000     -0.7732000    
 C  -0.5059000       2.394200     -0.3040000    
 C   -3.813100      0.5663000     -0.4074000    
 C   -2.793600     -0.4913000     -0.1237000    
 C  -0.3930000     -0.7175000      0.2402000    
 C   0.4487000       2.167300      0.8603000    
 C    1.023500     -0.2325000      0.2796000    
 C    1.394400       1.029100      0.5726000    
 C    2.100200      -1.257100      2.9600000E-02
 C    2.850600       1.391600      0.6464000    
 C   -3.035100      -1.833500      9.9200003E-02
 C  -0.6581000      -2.089300      0.4755000    
 C   -1.949700      -2.637400      0.4060000    
 C    3.417000     -0.7136000     -0.4609000    
 H   -2.872900       1.875800      -1.863400    
 H   -3.309100       2.689500     -0.3501000    
 H  -0.9173000       3.407700     -0.2223000    
 H   1.2600000E-02   2.340600      -1.269300    
 H   -4.481800      0.2987000      -1.230200    
 H   -4.396600      0.7769000      0.4949000    
 H  -8.5900001E-02   1.983700       1.800800    
 H    1.018300       3.092100       1.014400    
 H    2.297600      -1.828700      0.9437000    
 H    1.768400      -1.945800     -0.7584000    
 H    3.002600       2.402800      0.2534000    
 H    3.198800       1.384700       1.684900    
 H   -4.037300      -2.244000      5.0200000E-02
 H   0.1444000      -2.778600      0.7319000    
 H   -2.095000      -3.697000      0.5973000    


%chk=000010172-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000010172

0 1
O 3.655878 0.636310 -0.413704
O 3.997740 -1.367831 -1.457404
N -1.589770 1.438939 -0.335416
C -1.511852 0.073278 -0.043848
C -2.939783 1.809499 -0.833982
C -0.524012 2.434235 -0.291728
C -3.832334 0.580351 -0.493085
C -2.819215 -0.505651 -0.146566
C -0.376934 -0.741890 0.288052
C 0.444723 2.179331 0.900260
C 1.017306 -0.255190 0.375886
C 1.402535 1.036456 0.639035
C 2.152040 -1.265330 0.164364
C 2.882966 1.355033 0.643706
C -3.039080 -1.863826 0.085011
C -0.649276 -2.131215 0.519246
C -1.933455 -2.690711 0.430397
C 3.330848 -0.707628 -0.637821
H -2.910336 1.997083 -1.928392
H -3.285058 2.739655 -0.343203
H -1.007391 3.425080 -0.172359
H 0.062660 2.467088 -1.233770
H -4.484084 0.300609 -1.338423
H -4.488335 0.791478 0.373137
H -0.172079 1.989098 1.799441
H 1.012029 3.109988 1.088590
H 2.552244 -1.609172 1.143262
H 1.815476 -2.162008 -0.376497
H 3.071654 2.419918 0.430575
H 3.358282 1.106944 1.616889
H -4.047335 -2.285839 0.003149
H 0.181305 -2.787975 0.799015
H -2.080556 -3.757810 0.624182


