%chk=000158672.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000158672

0 1
 O    2.638100       1.602700      0.8864000    
 O  -3.3399999E-02   4.217600      -1.459900    
 N   0.9020000     -0.9982000      0.6946000    
 N   0.7543000       1.703700     -0.4810000    
 N   -3.670400     -0.1488000     -0.1444000    
 C    1.864000     -0.3991000     -0.2425000    
 C    3.255000      -1.012100     -0.1344000    
 C  -6.0100000E-02   2.611800      0.3087000    
 C  -0.9048000       1.789400       1.310300    
 C   -1.502900     -0.5827000      0.2309000    
 C  -0.3358000      -1.409500      0.2035000    
 C   -1.809800      0.7630000      0.6808000    
 C    1.862400       1.085300      8.8399999E-02
 C   -2.696600      -1.109000     -0.2804000    
 C    3.209900      -2.508500     -0.4393000    
 C    4.230800     -0.3038000      -1.072800    
 C   -3.153700      0.9710000      0.4349000    
 C  -0.9010000       3.506300     -0.5956000    
 C    1.281700      -1.483900       2.009200    
 C  -0.4594000      -2.709600     -0.3400000    
 C   -2.805800      -2.395900     -0.8177000    
 C   -1.664500      -3.190100     -0.8397000    
 H    1.514100     -0.5229000      -1.278000    
 H    3.662600     -0.8906000      0.8763000    
 H   0.6286000       3.243300      0.8847000    
 H   -1.507300       2.480200       1.914800    
 H  -0.2426000       1.278100       2.020200    
 H   0.2982000       1.254000      -1.269500    
 H    2.754800      -2.699500      -1.417400    
 H    4.225300      -2.920400     -0.4677000    
 H    2.667100      -3.086800      0.3082000    
 H    3.886400     -0.3515000      -2.111800    
 H    5.218200     -0.7771000      -1.029600    
 H    4.371900      0.7487000     -0.8111000    
 H   -3.783100       1.830500      0.6203000    
 H   -1.490900       4.223100     -1.5600000E-02
 H   -1.582500       2.926500      -1.225200    
 H    2.134400     -0.9323000       2.415700    
 H    1.517500      -2.551500       2.005800    
 H   0.4592000      -1.334000       2.719500    
 H   0.4053000      -3.368300     -0.3716000    
 H   -4.633200     -0.2607000     -0.4302000    
 H   -3.749300      -2.767300      -1.204400    
 H   -1.716500      -4.195500      -1.248500    
 H   0.5516000       4.763700     -0.9076000    


%chk=000158672-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000158672

0 1
O 2.513115 1.519897 0.993525
O -0.320287 4.013920 -1.721243
N 0.939448 -1.155453 0.562500
N 0.739583 1.603141 -0.518344
N -3.773362 -0.143557 0.163335
C 1.977526 -0.525616 -0.302171
C 3.407194 -1.075732 -0.095403
C -0.052067 2.545975 0.296921
C -0.818827 1.757821 1.425344
C -1.523057 -0.589853 0.266316
C -0.367402 -1.418861 0.023439
C -1.777407 0.710838 0.899038
C 1.840961 0.976913 0.056527
C -2.800783 -1.075453 -0.210764
C 3.451560 -2.602777 -0.319364
C 4.395291 -0.339571 -1.030551
C -3.155955 0.924384 0.818110
C -0.996628 3.380128 -0.584708
C 1.134013 -1.166111 2.024166
C -0.537009 -2.587198 -0.756619
C -2.963215 -2.258030 -0.964304
C -1.802684 -2.997859 -1.256957
H 1.673034 -0.700191 -1.353056
H 3.704102 -0.850414 0.947986
H 0.676064 3.212055 0.799746
H -1.377910 2.491527 2.038897
H -0.048775 1.319491 2.083542
H 0.222376 1.087089 -1.235771
H 3.212573 -2.855514 -1.371337
H 4.460674 -2.998031 -0.101091
H 2.725527 -3.126028 0.328287
H 4.123800 -0.488721 -2.094252
H 5.421202 -0.726152 -0.889768
H 4.408919 0.743662 -0.819901
H -3.732313 1.776706 1.174727
H -1.491230 4.143286 0.054208
H -1.780757 2.745396 -1.033814
H 1.609812 -0.233295 2.388033
H 1.773564 -2.016826 2.339522
H 0.155558 -1.280443 2.520431
H 0.346674 -3.210115 -0.931954
H -4.768713 -0.225316 -0.030479
H -3.948677 -2.582668 -1.315833
H -1.876865 -3.918889 -1.845308
H 0.591156 4.285745 -1.444309


