%chk=000163298.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163298

0 1
 O    7.299200     -1.0200000E-02 -0.8862000    
 O   -7.603600     -5.9999999E-02   1.407100    
 O   -8.055800     -0.5303000     -0.7702000    
 N    3.078900      0.8965000      0.4750000    
 N   -1.646700      0.1784000     -0.6350000    
 N    3.837200      -1.403000      0.7274000    
 N    4.961800       1.730300     -0.4201000    
 N    6.092900      -1.793800     -2.2000000E-02
 C    1.732300      0.8554000      0.9883000    
 C   0.7110000      0.5386000     -0.1063000    
 C  -0.7176000      0.4834000      0.4263000    
 C    3.967900     -0.1189000      0.3804000    
 C    5.110600      0.3961000     -0.1649000    
 C    3.729600       2.002800     -2.4499999E-02
 C   -3.016200      6.8599999E-02 -0.4512000    
 C    6.266700     -0.4535000     -0.3984000    
 C    4.955200      -2.179500      0.4915000    
 C   -3.867500     -0.2317000      -1.530900    
 C   -3.591200      0.2543000      0.8197000    
 C   -5.245600     -0.3421000      -1.346000    
 C   -4.969300      0.1437000       1.004300    
 C   -5.796500     -0.1545000     -7.8599997E-02
 C   -7.233200     -0.2705000      0.1142000    
 H    1.520600       1.830300       1.442600    
 H    1.695100      0.1072000       1.787800    
 H   0.7770000       1.292600     -0.9019000    
 H   0.9623000     -0.4205000     -0.5785000    
 H  -0.7745000     -0.2834000       1.208300    
 H  -0.9642000       1.452500      0.8765000    
 H    3.255300       2.973700     -7.5000003E-02
 H   -1.286800      3.3100002E-02  -1.572100    
 H    2.994500      -1.799900       1.129700    
 H    4.810400      -3.230100      0.7892000    
 H   -3.454300     -0.3811000      -2.526000    
 H   -2.984400      0.4877000       1.690600    
 H   -5.872800     -0.5752000      -2.202500    
 H   -5.356700      0.2971000       2.007700    
 H   -8.574000     -0.1410000       1.526500    


%chk=000163298-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000163298

0 1
O 7.399768 -0.262445 -0.996167
O -7.751067 -0.152334 1.374651
O -8.078756 -0.719358 -0.855093
N 3.149616 0.998012 0.544992
N -1.635486 0.218222 -0.589827
N 3.760212 -1.437354 0.656671
N 5.111287 1.763720 -0.365394
N 5.979417 -1.954092 -0.157972
C 1.758267 1.008065 1.024781
C 0.747010 0.597634 -0.071300
C -0.698635 0.612535 0.462582
C 3.979789 -0.100813 0.363487
C 5.188982 0.367593 -0.192337
C 3.897134 2.107622 0.075685
C -3.007410 0.080628 -0.399927
C 6.288400 -0.562808 -0.497164
C 4.830471 -2.308884 0.361977
C -3.839842 -0.291201 -1.502883
C -3.614721 0.298179 0.875122
C -5.220412 -0.440067 -1.333185
C -5.001797 0.144562 1.034043
C -5.824044 -0.225469 -0.061796
C -7.283796 -0.395243 0.064833
H 1.537980 2.030389 1.380457
H 1.670287 0.340485 1.904810
H 0.842974 1.296570 -0.924352
H 0.991463 -0.413641 -0.451881
H -0.784158 -0.083893 1.325003
H -0.944149 1.627799 0.846312
H 3.490532 3.116642 0.099153
H -1.270378 0.101283 -1.535104
H 2.897692 -1.791201 1.074264
H 4.638620 -3.361888 0.604801
H -3.387516 -0.460777 -2.487959
H -3.006204 0.591055 1.735903
H -5.861412 -0.724349 -2.174249
H -5.465972 0.311993 2.010214
H -8.736548 -0.284069 1.379648


