%chk=000085697.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000085697

0 1
 O   0.2337000      -1.244600     -0.1797000    
 N   -4.793600      0.2247000     -0.1762000    
 C    1.622600      -1.623700      1.8900000E-02
 C   0.1551000      0.1268000     -0.6442000    
 C    2.341800     -0.3153000      9.2100002E-02
 C    1.477600      0.7072000     -0.2847000    
 C   -1.033400      0.7945000      2.3900000E-02
 C   -2.355800      0.1687000     -0.4238000    
 C    2.073700      -2.458200      -1.179400    
 C    1.702500      -2.425600       1.315100    
 C    3.653400     -4.5699999E-02  0.4510000    
 C    1.901100       2.025600     -0.3218000    
 C   -3.544100      0.8217000      0.2802000    
 C    4.089700       1.280300      0.4270000    
 C    3.218600       2.310000      4.2300001E-02
 C   -5.938700      0.8686000      0.4699000    
 C   -4.804400      -1.215000      8.9400001E-02
 H   4.4000000E-02  0.1067000      -1.734900    
 H  -0.9483000      0.7018000       1.114800    
 H   -1.048300       1.866100     -0.2089000    
 H   -2.460400      0.2692000      -1.511400    
 H   -2.300400     -0.9001000     -0.1951000    
 H    1.957000      -1.904200      -2.118500    
 H    3.123100      -2.759200      -1.091500    
 H    1.460300      -3.361400      -1.275200    
 H    2.726800      -2.742900       1.537600    
 H    1.335600      -1.837300       2.164700    
 H    1.068600      -3.317900       1.259400    
 H    4.331800     -0.8407000      0.7418000    
 H    1.234100       2.823600     -0.6296000    
 H   -3.431500      0.7269000       1.368400    
 H   -3.542900       1.893700      4.6300001E-02
 H    5.113200       1.517200      0.7044000    
 H    3.574600       3.336400      2.3399999E-02
 H   -5.949900       1.942400      0.2519000    
 H   -5.927300      0.7371000       1.558000    
 H   -6.879400      0.4620000      8.2199998E-02
 H   -5.803700      -1.628600     -9.5600002E-02
 H   -4.535400      -1.453900       1.124800    
 H   -4.147700      -1.762100     -0.5939000    


%chk=000085697-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000085697

0 1
O 0.287494 -1.294010 -0.431725
N -4.870277 0.206371 -0.078010
C 1.698112 -1.648456 -0.037772
C 0.176290 0.157999 -0.764378
C 2.393214 -0.293951 0.046936
C 1.527166 0.736174 -0.382366
C -1.025859 0.759450 -0.010401
C -2.365009 0.109395 -0.419499
C 2.298129 -2.545252 -1.145014
C 1.621670 -2.388155 1.312580
C 3.708278 -0.001434 0.459008
C 1.961722 2.076414 -0.410673
C -3.543966 0.666695 0.402219
C 4.149885 1.343908 0.436695
C 3.282041 2.376275 0.003735
C -5.970620 0.971764 0.542833
C -5.071083 -1.249414 0.073530
H -0.002870 0.242485 -1.859147
H -0.852379 0.634468 1.076603
H -1.058360 1.850576 -0.214278
H -2.566835 0.294626 -1.493310
H -2.269494 -0.983585 -0.286721
H 2.306920 -2.013171 -2.111823
H 3.335627 -2.837325 -0.896462
H 1.690467 -3.460430 -1.254365
H 2.626867 -2.709632 1.642927
H 1.186294 -1.735076 2.087596
H 0.984820 -3.284219 1.210768
H 4.383345 -0.797885 0.793676
H 1.292738 2.877902 -0.745029
H -3.387401 0.412176 1.485967
H -3.535865 1.773132 0.331575
H 5.169124 1.589285 0.755596
H 3.636009 3.413216 -0.010242
H -5.833982 2.049761 0.342145
H -6.040351 0.833675 1.653403
H -6.935307 0.661570 0.101966
H -6.066175 -1.524970 -0.319524
H -5.012009 -1.591398 1.139874
H -4.314673 -1.804152 -0.505794


