%chk=000044611.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044611

0 1
 O    2.489400     -1.3000000E-03  0.9653000    
 O   -5.062700      3.4000000E-03 -0.6925000    
 O   -4.039400     -9.9999997E-05   1.317200    
 O    3.141900       0.000000      -1.266400    
 N   -2.808900     -9.9999997E-05 -0.6882000    
 N    4.720900      3.9999999E-04  0.4332000    
 C   -1.473000     -5.0000002E-04 -0.2726000    
 C  -0.8068000       1.207400     -6.4599998E-02
 C  -0.8073000      -1.208700     -6.4999998E-02
 C   0.5250000       1.207000      0.3507000    
 C   0.5246000      -1.209100      0.3499000    
 C    1.190700     -1.3000000E-03  0.5576000    
 C   -1.492800       2.518100     -0.2767000    
 C   -1.494500      -2.518500     -0.2783000    
 C   -3.952600      5.0000002E-04  9.7000003E-02
 C    3.438400      6.0000003E-04 -7.5300001E-02
 C    5.906900      2.0999999E-03 -0.3914000    
 H    1.053000       2.142800      0.5176000    
 H    1.052300      -2.145200      0.5162000    
 H   -2.300600       2.648000      0.4510000    
 H  -0.8047000       3.362300     -0.1586000    
 H   -1.904400       2.578700      -1.289700    
 H  -0.8075000      -3.363500     -0.1592000    
 H   -2.303500      -2.647800      0.4481000    
 H   -1.904600      -2.578500      -1.291900    
 H   -2.948700      2.9000000E-03  -1.695500    
 H    4.837600     -7.9999998E-04   1.441800    
 H    6.493000      0.8904000     -0.1436000    
 H    5.653900      8.9999996E-03  -1.454100    
 H    6.488300     -0.8920000     -0.1541000    
 H   -5.887300      4.4000000E-03 -0.1613000    


%chk=000044611-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000044611

0 1
O 2.594330 -0.599755 0.116179
O -5.215256 0.212390 -0.138244
O -3.818430 -0.671907 1.532623
O 3.514157 1.560567 -0.348054
N -2.981418 0.133213 -0.536556
N 4.819445 -0.300278 0.245309
C -1.565853 -0.045237 -0.354782
C -0.725128 1.090893 -0.531938
C -1.021072 -1.327980 -0.055634
C 0.675916 0.954564 -0.396549
C 0.379311 -1.434796 0.094574
C 1.212848 -0.310157 -0.071952
C -1.319436 2.450195 -0.858028
C -1.891079 -2.560201 0.080521
C -3.953529 -0.162322 0.394170
C 3.641867 0.353746 -0.029197
C 6.116098 0.378963 0.195781
H 1.332835 1.814936 -0.528238
H 0.836480 -2.400863 0.329207
H -2.125042 2.718143 -0.149659
H -0.547101 3.234964 -0.813476
H -1.756714 2.481084 -1.876688
H -1.284382 -3.479033 0.017904
H -2.429499 -2.554861 1.045560
H -2.660600 -2.595870 -0.712805
H -3.305461 0.647944 -1.358492
H 4.758887 -1.287791 0.493881
H 6.618082 0.355477 1.180553
H 5.939949 1.429256 -0.085054
H 6.781394 -0.082037 -0.557347
H -5.905001 0.007355 0.543030


