%chk=000044148.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044148

0 1
 O   -3.538400       2.652600     -0.2158000    
 N    2.369900      0.1340000     -0.1687000    
 N   -6.838500      -2.714000     -0.9623000    
 N    6.836300      -2.752500     -0.3151000    
 N    2.884300       2.248700      0.2817000    
 N    8.355000      -1.132500      0.1329000    
 N   -7.410200      -2.176200       1.324700    
 C   -7.234600      -1.635500     -4.7200002E-02
 C    3.734900      0.1592000     -4.0300000E-02
 C    6.034200     -0.4445000      5.2700002E-02
 C    7.092000      -1.439500     -4.0700000E-02
 C    4.031500       1.490100      0.2405000    
 C   -6.247300     -0.4899000     -9.2000000E-02
 C    4.706000     -0.8375000     -0.1427000    
 C    8.054000      -3.505000     -0.3555000    
 C    1.908100       1.405000      3.2299999E-02
 C    9.087700      -2.419900     -4.2100001E-02
 C   -7.234800      -3.929800     -0.2750000    
 C    6.363100      0.8831000      0.3360000    
 C    5.371300       1.867000      0.4340000    
 C   0.5029000       1.726500     -3.1500001E-02
 C   -7.405000      -3.455300       1.130300    
 C   -6.412600      0.5373000      -1.020900    
 C   -5.171600     -0.4612000      0.7955000    
 C   -4.442200       1.604000     -0.1740000    
 C   -5.502300       1.593300      -1.062400    
 C   -4.261100      0.5948000      0.7542000    
 C  -8.9999996E-03   2.768800      0.7405000    
 C  -0.3423000      0.9949000     -0.8654000    
 C   -2.213300       2.348500     -0.1552000    
 C   -1.367300       3.079800      0.6788000    
 C   -1.700700       1.305900     -0.9273000    
 H   -8.217500      -1.256900     -0.3598000    
 H    4.405700      -1.853900     -0.3637000    
 H    8.219100      -3.943900      -1.343700    
 H    8.060700      -4.297500      0.3983000    
 H    9.636700      -2.654500      0.8760000    
 H    9.812200      -2.320700     -0.8573000    
 H    1.815200     -0.6893000     -0.3630000    
 H   -5.821100      -2.722200      -1.046800    
 H    5.935700      -3.182400     -0.4817000    
 H   -8.185800      -4.323400     -0.6439000    
 H   -6.469000      -4.707800     -0.3249000    
 H    7.395300       1.190300      0.4883000    
 H    5.636600       2.896100      0.6546000    
 H   -7.245400      0.5258000      -1.719000    
 H   -5.015400      -1.252100       1.523800    
 H   -7.543000      -4.180300       1.945000    
 H   -5.631500       2.391800      -1.786600    
 H   -3.444100      0.6049000       1.469600    
 H   0.6321000       3.349600       1.399300    
 H   2.8100001E-02  0.1886000      -1.493500    
 H   -1.761300       3.892300       1.283300    
 H   -2.331000      0.7365000      -1.605400    


%chk=000044148-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044148

0 1
O -3.435232 2.141962 -0.332370
N 2.794902 -0.155902 -0.281170
N -8.528598 -1.839597 -0.907456
N 7.680434 -2.556860 -0.083074
N 3.059931 2.030413 0.319452
N 8.995002 -0.659397 -0.179126
N -7.659389 -2.610880 1.231866
C -7.943133 -1.370272 0.396749
C 4.173462 0.020795 -0.100631
C 6.556366 -0.306931 0.031007
C 7.770078 -1.148175 -0.068010
C 4.316440 1.402933 0.272996
C -6.720808 -0.487083 0.204512
C 5.271317 -0.849524 -0.226559
C 9.052069 -3.122837 -0.025869
C 2.162368 1.074653 -0.017790
C 9.919072 -1.835704 -0.291714
C -9.041374 -3.216063 -0.629394
C 6.710953 1.070900 0.391662
C 5.608098 1.929969 0.516976
C 0.713652 1.281943 -0.101297
C -8.282806 -3.599537 0.652592
C -6.754470 0.563096 -0.749813
C -5.553274 -0.670747 0.984672
C -4.477560 1.193230 -0.158560
C -5.635671 1.400227 -0.938405
C -4.429930 0.166076 0.811389
C 0.187956 2.564080 0.225921
C -0.190507 0.260604 -0.501819
C -2.075386 1.778099 -0.222433
C -1.192040 2.812591 0.167253
C -1.577492 0.498672 -0.566125
H -8.722155 -0.817784 0.963329
H 5.151780 -1.887741 -0.554311
H 9.204639 -3.900788 -0.794184
H 9.263278 -3.563978 0.969729
H 10.754211 -1.729748 0.422660
H 10.350872 -1.848470 -1.310621
H 2.332323 -1.021289 -0.549414
H -7.792360 -1.860513 -1.629838
H 6.894869 -3.046555 0.345408
H -10.132829 -3.209501 -0.431419
H -8.859998 -3.907031 -1.471867
H 7.729811 1.430812 0.562185
H 5.729962 2.981108 0.793370
H -7.661542 0.726841 -1.342059
H -5.540798 -1.469628 1.731747
H -8.274387 -4.607008 1.084185
H -5.647133 2.215702 -1.667445
H -3.539769 0.033239 1.434088
H 0.890298 3.346923 0.526765
H 0.171939 -0.735771 -0.783452
H -1.605766 3.794055 0.415960
H -2.259374 -0.292408 -0.891350


