%chk=000096044.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000096044

0 1
 O    2.470000       1.504600     -0.2824000    
 N   0.4618000      -1.206100      0.2558000    
 C    2.412700      9.6000001E-02 -0.4528000    
 C    3.704000      0.7806000     -0.1951000    
 C    1.703700     -0.5988000      0.6914000    
 C  -0.7082000     -0.4283000      0.1308000    
 C   0.4407000      -2.619800     -6.2899999E-02
 C  -0.6783000      0.9315000      0.4399000    
 C   -1.895500      -1.019400     -0.3016000    
 C   -1.835500       1.700500      0.3169000    
 C   -3.052700     -0.2503000     -0.4247000    
 C   -3.022600       1.109600     -0.1154000    
 H    2.237900     -0.3207000      -1.434300    
 H    4.162700      0.6892000      0.7809000    
 H    4.401900      0.8856000      -1.015600    
 H    1.571300      4.9699999E-02   1.566500    
 H    2.381900      -1.384000       1.051200    
 H  -0.2452000      -3.163800      0.5957000    
 H    1.428300      -3.077400      6.4499997E-02
 H   0.1570000      -2.786400      -1.108100    
 H   0.2029000       1.449200      0.7967000    
 H   -1.970900      -2.072600     -0.5529000    
 H   -1.814200       2.758600      0.5612000    
 H   -3.977800     -0.7098000     -0.7608000    
 H   -3.924000       1.708100     -0.2103000    


%chk=000096044-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000096044

0 1
O 2.491631 1.543047 -0.463414
N 0.468385 -1.232005 0.081224
C 2.605880 0.031907 -0.406260
C 3.749910 0.886797 0.048210
C 1.727041 -0.693049 0.611892
C -0.702468 -0.445352 0.043480
C 0.395312 -2.666315 -0.221192
C -0.645355 0.975366 0.198093
C -1.982150 -1.050283 -0.154495
C -1.827189 1.742236 0.176220
C -3.152941 -0.263609 -0.182856
C -3.092626 1.137766 -0.011984
H 2.655203 -0.428200 -1.402419
H 3.926654 1.017099 1.124612
H 4.630760 1.005487 -0.594315
H 1.526025 -0.000129 1.453532
H 2.313960 -1.536922 1.025835
H -0.156092 -3.242396 0.553962
H 1.414705 -3.080675 -0.291499
H -0.104682 -2.842327 -1.192883
H 0.319164 1.484405 0.287780
H -2.071251 -2.134374 -0.271762
H -1.752529 2.830261 0.290460
H -4.120898 -0.756508 -0.333950
H -4.004549 1.743572 -0.033670


