%chk=000095103.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000095103

0 1
 O    4.520700      0.6992000      -1.237100    
 N    4.788300     -9.1399997E-02  0.8959000    
 C    5.904100     -0.6200000      8.6099997E-02
 C  -0.8912000     -3.5700001E-02  8.8999998E-03
 C   -2.242200      0.6436000      0.2446000    
 C   0.2677000      0.9183000      0.3059000    
 C   -3.402000     -0.3183000     -1.9200001E-02
 C    1.643700      0.2968000      5.5399999E-02
 C   -4.752800      0.3699000      0.1841000    
 C    2.798800       1.254600      0.3266000    
 C    5.847900      0.1892000      -1.204800    
 C   -5.913400     -0.5832000     -0.1118000    
 C    4.086000      0.5757000      3.6699999E-02
 C   -7.263000      0.1174000      5.9400000E-02
 C    7.217000     -0.4170000      0.8350000    
 C    5.652200      -2.110000     -0.1629000    
 C   -8.458700     -0.7866000     -0.2482000    
 C   -9.803000     -0.1026000     -5.4600000E-02
 H  -0.8060000     -0.9229000      0.6478000    
 H  -0.8278000     -0.3780000      -1.031000    
 H   -2.331500       1.517800     -0.4117000    
 H   -2.296700       1.007700       1.277800    
 H   0.1640000       1.816300     -0.3159000    
 H   0.2080000       1.247800       1.350600    
 H   -3.335400     -0.6987000      -1.045700    
 H   -3.324300      -1.182400      0.6516000    
 H    1.696200     -5.1899999E-02 -0.9842000    
 H    1.755100     -0.5973000      0.6824000    
 H   -4.820700       1.244700     -0.4742000    
 H   -4.829200      0.7345000       1.215700    
 H    2.715000       2.152900     -0.2947000    
 H    2.794800       1.576500       1.373800    
 H    6.034100     -0.4140000      -2.099000    
 H    6.538500       1.040000      -1.209700    
 H   -5.827200     -0.9619000      -1.137500    
 H   -5.861000      -1.449200      0.5589000    
 H   -7.302200      0.9957000     -0.5970000    
 H   -7.349000      0.4878000       1.088600    
 H    7.378400      0.6409000       1.071800    
 H    8.068900     -0.7658000      0.2417000    
 H    7.217100     -0.9623000       1.785600    
 H    5.603700      -2.663700      0.7816000    
 H    4.701000      -2.273300     -0.6824000    
 H    6.449300      -2.548400     -0.7732000    
 H   -8.387700      -1.142400      -1.283000    
 H   -8.418100      -1.673200      0.3958000    
 H   -10.61890     -0.7936000     -0.2885000    
 H   -9.925100      0.2317000      0.9805000    
 H   -9.895100      0.7689000     -0.7103000    


%chk=000095103-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000095103

0 1
O 4.439235 0.382571 -1.235974
N 5.025911 -0.131695 0.963479
C 6.190387 -0.626540 0.130450
C -0.955363 -0.007000 -0.154915
C -2.314381 0.612133 0.242656
C 0.256902 0.804734 0.354315
C -3.528400 -0.209201 -0.246722
C 1.612109 0.171922 -0.030002
C -4.886784 0.397238 0.171780
C 2.814036 0.988926 0.517351
C 5.786424 -0.263500 -1.348612
C -6.101234 -0.431147 -0.304944
C 4.141798 0.387950 0.159173
C -7.459205 0.164243 0.130472
C 7.469719 0.111660 0.579496
C 6.329174 -2.151360 0.332865
C -8.673100 -0.668502 -0.341488
C -10.025454 -0.071527 0.104445
H -0.895182 -1.041683 0.243007
H -0.900495 -0.095421 -1.260022
H -2.381466 1.643386 -0.163225
H -2.361536 0.710012 1.347641
H 0.204085 1.836958 -0.051159
H 0.194837 0.899480 1.458698
H -3.490615 -0.297392 -1.352792
H -3.452751 -1.243719 0.149522
H 1.695429 0.096085 -1.130959
H 1.665059 -0.860919 0.368401
H -4.967369 1.429682 -0.228717
H -4.919700 0.490549 1.277697
H 2.765536 2.018030 0.110822
H 2.762788 1.055065 1.617668
H 5.675940 -1.147958 -1.998911
H 6.466196 0.469817 -1.815368
H -6.076006 -0.515791 -1.411747
H -6.013554 -1.466409 0.087027
H -7.551126 1.198586 -0.262839
H -7.484080 0.250429 1.237195
H 7.360524 1.202834 0.446485
H 8.345537 -0.229490 -0.003949
H 7.663017 -0.083573 1.648465
H 6.499467 -2.377023 1.399671
H 5.409670 -2.674795 0.015200
H 7.180951 -2.548208 -0.250873
H -8.650174 -0.750404 -1.447538
H -8.577629 -1.702841 0.048044
H -10.875925 -0.685505 -0.245328
H -10.085727 -0.007480 1.207495
H -10.159174 0.950895 -0.297238


