%chk=000116004.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000116004

0 1
 O  -0.7338000      0.9293000      5.5999998E-03
 N   -2.136700     -0.9103000      4.3000001E-03
 N   -3.013600       1.323300     -5.9000002E-03
 N   -4.509500     -0.5530000     -8.3999997E-03
 N   -3.623100      -2.724100      1.1000000E-03
 N   -5.336900       1.641300     -1.8100001E-02
 C    4.167900      0.5318000      4.3600000E-02
 C    2.841000     -0.2299000      1.8500000E-02
 C    5.395500     -0.3837000      4.3499999E-02
 C    1.652500      0.7302000     -4.1999999E-03
 C    6.721300      0.3768000     -5.9000002E-03
 C   0.3264000     -1.6799999E-02  1.3000000E-02
 C    7.904700     -0.5764000     -7.6700002E-02
 C   -2.009800      0.4285000      1.2000001E-03
 C   -3.412900      -1.327900     -8.9999998E-04
 C   -4.233100      0.7610000     -1.0600000E-02
 H    4.202200       1.175700      0.9311000    
 H    4.217200       1.194100     -0.8298000    
 H    2.777400     -0.8783000      0.9006000    
 H    2.806600     -0.8796000     -0.8643000    
 H    5.335400      -1.056400     -0.8214000    
 H    5.372000      -1.017500      0.9387000    
 H    1.698500       1.371400     -0.8934000    
 H    1.696400       1.408500      0.8572000    
 H    6.739000       1.036300     -0.8813000    
 H    6.817300       1.012200      0.8819000    
 H   0.2622000     -0.6605000     -0.8734000    
 H   0.2679000     -0.6356000      0.9172000    
 H    7.931800      -1.233500      0.7984000    
 H    8.842800     -1.3500000E-02 -0.1084000    
 H    7.852900      -1.200800     -0.9744000    
 H   -4.567200      -3.084700     -2.2000000E-03
 H   -2.826900      -3.346500      7.1999999E-03
 H   -6.274100       1.263200     -2.2399999E-02
 H   -5.176800       2.639100     -2.0600000E-02


%chk=000116004-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000116004

0 1
O -0.767197 0.841803 0.000473
N -2.247834 -0.992384 0.004187
N -3.016935 1.318917 0.002423
N -4.644731 -0.512968 0.008401
N -3.838475 -2.711958 0.010200
N -5.318512 1.731412 0.006679
C 4.211007 0.531737 -0.008029
C 2.886752 -0.265035 -0.004466
C 5.466132 -0.369272 -0.008980
C 1.640835 0.650746 -0.003737
C 6.790081 0.429002 -0.010071
C 0.341758 -0.154952 0.000364
C 8.040010 -0.477239 -0.009342
C -2.054173 0.357859 0.001004
C -3.575073 -1.366629 0.007507
C -4.297540 0.817632 0.006121
H 4.238636 1.198730 0.878691
H 4.235353 1.196085 -0.896824
H 2.863054 -0.928780 0.885110
H 2.859884 -0.931599 -0.891860
H 5.440957 -1.035192 -0.897049
H 5.442386 -1.035330 0.879034
H 1.655226 1.308636 -0.893754
H 1.658715 1.311884 0.883816
H 6.813172 1.093410 -0.898004
H 6.813387 1.095473 0.876296
H 0.244090 -0.798838 -0.893312
H 0.247623 -0.794865 0.897301
H 8.055145 -1.130009 0.883962
H 8.972423 0.116771 -0.009778
H 8.055219 -1.131372 -0.901634
H -4.804772 -3.027248 0.012583
H -3.062466 -3.368194 0.009867
H -6.280434 1.403572 0.008816
H -5.089205 2.721894 0.004803


