%chk=000049538.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049538

0 1
 O   0.4660000       4.318000      0.1673000    
 N   -4.477600     -0.3888000     -0.5191000    
 N   0.5854000     -0.5342000      0.7328000    
 C   -1.812500      -1.080800      0.4876000    
 C   -2.058300      0.1217000     -0.4301000    
 C   -3.094900      -1.415700       1.256800    
 C  -0.6533000     -0.8133000       1.443400    
 C   -3.281800     -9.9699996E-02  -1.322000    
 C   -4.283700      -1.586700      0.3087000    
 C   0.9926000      0.7179000      0.3477000    
 C    1.496200      -1.489200      0.3585000    
 C    2.217800      0.5673000     -0.3021000    
 C    2.536200     -0.8279000     -0.2953000    
 C   -5.647700     -0.5470000      -1.382500    
 C   0.3764000       1.962400      0.5228000    
 C    1.480700      -2.876000      0.5463000    
 C    2.861500       1.718200     -0.8031000    
 C    3.616500      -1.590400     -0.7870000    
 C    1.033300       3.087500      1.7400000E-02
 C    2.561800      -3.609400      5.0200000E-02
 C    2.257600       2.969700     -0.6359000    
 C    3.615100      -2.978200     -0.6069000    
 C  -0.7874000       4.374600      0.8446000    
 H   -1.559300      -1.943300     -0.1448000    
 H   -1.209400      0.2990000      -1.096300    
 H   -2.238000       1.024100      0.1639000    
 H   -3.317600     -0.6198000       1.979700    
 H   -2.954500      -2.338000       1.833100    
 H  -0.4813000      -1.673900       2.099700    
 H  -0.8645000      3.1199999E-02   2.109100    
 H   -3.443300      0.8108000      -1.912200    
 H   -3.079500     -0.9148000      -2.029600    
 H   -4.130000      -2.475200     -0.3179000    
 H   -5.179500      -1.767500      0.9151000    
 H   -6.549200     -0.7131000     -0.7822000    
 H   -5.537900      -1.385500      -2.079800    
 H   -5.822700      0.3649000      -1.964200    
 H  -0.5511000       2.015700       1.073700    
 H   0.6643000      -3.380400       1.051700    
 H    3.816600       1.642500      -1.315200    
 H    4.445300      -1.112600      -1.301800    
 H    2.579200      -4.688600      0.1786000    
 H    2.756100       3.854900      -1.023400    
 H    4.445700      -3.568300     -0.9849000    
 H  -0.6975000       4.051300       1.887300    
 H   -1.565300       3.825400      0.3029000    
 H   -1.096000       5.425100      0.8639000    


%chk=000049538-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049538

0 1
O 0.933838 4.589323 0.340544
N -4.648868 -0.735704 -0.589723
N 0.526904 -0.400429 0.710441
C -1.907008 -1.065216 0.442590
C -2.287409 0.052150 -0.557404
C -3.155220 -1.472284 1.263224
C -0.750339 -0.651964 1.388606
C -3.481752 -0.376019 -1.430610
C -4.328497 -1.847334 0.335603
C 1.077502 0.854729 0.382122
C 1.422557 -1.406861 0.291322
C 2.349911 0.652063 -0.252786
C 2.571450 -0.786023 -0.313008
C -5.854566 -1.010578 -1.394613
C 0.543757 2.144809 0.608810
C 1.310740 -2.808537 0.411554
C 3.099677 1.780207 -0.665928
C 3.619003 -1.597746 -0.806463
C 1.324262 3.246252 0.186698
C 2.372370 -3.597420 -0.085354
C 2.590670 3.070226 -0.446375
C 3.513688 -3.000990 -0.689866
C -0.355736 4.851103 0.978832
H -1.573474 -1.949614 -0.142199
H -1.424835 0.305988 -1.201086
H -2.571725 0.965189 0.003832
H -3.468670 -0.625893 1.906640
H -2.921442 -2.329976 1.925605
H -0.592440 -1.448721 2.143033
H -1.036559 0.260200 1.945219
H -3.777620 0.453612 -2.099783
H -3.171621 -1.234887 -2.085294
H -4.064640 -2.783334 -0.228310
H -5.229847 -2.071322 0.936856
H -6.714340 -1.199337 -0.726631
H -5.744124 -1.895167 -2.073172
H -6.093487 -0.130988 -2.019100
H -0.431883 2.281920 1.081383
H 0.435866 -3.280152 0.871248
H 4.072671 1.654692 -1.153162
H 4.502905 -1.146328 -1.270887
H 2.313565 -4.688826 -0.005183
H 3.141022 3.964853 -0.750953
H 4.318385 -3.641087 -1.067742
H -0.379479 4.462311 2.016182
H -1.190951 4.410346 0.399066
H -0.453713 5.946662 0.992721


