%chk=000044518.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044518

1 1
 O   -3.663200     -0.9316000      0.5245000    
 N    3.976700     -0.4776000     -7.3299997E-02
 C    2.925800      0.4766000      0.3760000    
 C    1.541700     -3.8500000E-02 -3.7400000E-02
 C   0.3522000      0.7887000      0.4635000    
 C    4.038300     -0.5320000      -1.604300    
 C    5.353600     -5.0200000E-02  0.4485000    
 C    3.682100      -1.889600      0.4468000    
 C    3.266300       1.857200     -0.1660000    
 C  -0.9763000      0.1487000      4.9600001E-02
 C   -2.168600      0.9491000      0.5818000    
 C   -3.479300      0.3433000      0.1472000    
 C   -4.514900      0.8445000     -0.5576000    
 C   -5.449600     -0.2153000     -0.6364000    
 C   -4.884900      -1.273300      3.7099998E-02
 H    2.971400      0.5104000       1.472800    
 H    1.449300     -8.4799998E-02  -1.127200    
 H    1.369500      -1.048800      0.3441000    
 H   0.4035000       1.804900      5.7100002E-02
 H   0.3994000      0.8701000       1.556000    
 H    4.339400      0.4356000      -2.010000    
 H    4.808300      -1.265900      -1.868900    
 H    3.087400     -0.8716000      -2.016600    
 H    5.713100      0.8191000     -0.1066000    
 H    5.272800      0.1573000       1.519300    
 H    6.055500     -0.8736000      0.2802000    
 H    4.577100      -2.503300      0.3005000    
 H    3.444500      -1.827800       1.512700    
 H    2.869200      -2.337700     -0.1303000    
 H    2.576900       2.589300      0.2729000    
 H    3.128800       1.945100      -1.247700    
 H    4.259100       2.222400      0.1032000    
 H   -1.019900     -0.8804000      0.4278000    
 H   -1.030400      8.6199999E-02  -1.044700    
 H   -2.112800       1.984300      0.2239000    
 H   -2.142300      0.9821000       1.677500    
 H   -4.610200       1.837700     -0.9718000    
 H   -6.414100     -0.2091000      -1.123200    
 H   -5.206300      -2.282800      0.2477000    


%chk=000044518-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044518

1 1
O -3.713648 -1.050744 0.324152
N 4.068257 -0.531750 -0.063761
C 2.914776 0.518049 0.274514
C 1.545345 0.074319 -0.296648
C 0.356605 0.731946 0.454429
C 4.118256 -0.847756 -1.555479
C 5.427857 0.016218 0.371148
C 3.824467 -1.824097 0.716961
C 3.290040 1.937242 -0.184648
C -1.001610 0.245557 -0.099235
C -2.204892 0.883832 0.646108
C -3.527361 0.347955 0.188020
C -4.674739 0.907560 -0.348980
C -5.626137 -0.167609 -0.560810
C -5.013766 -1.334203 -0.144752
H 2.878828 0.483875 1.381470
H 1.482190 0.338448 -1.370091
H 1.405958 -1.021218 -0.223568
H 0.409048 1.835524 0.371971
H 0.419325 0.488987 1.535288
H 4.250621 0.084206 -2.123423
H 4.970504 -1.519044 -1.744910
H 3.184637 -1.340799 -1.858781
H 5.721228 0.847776 -0.283108
H 5.361790 0.362674 1.413895
H 6.172709 -0.791253 0.294556
H 4.608352 -2.551939 0.456167
H 3.864960 -1.603805 1.794639
H 2.841238 -2.238346 0.458991
H 2.440139 2.599954 0.049160
H 3.448664 2.001135 -1.275867
H 4.166158 2.355139 0.335732
H -1.074239 -0.855150 -0.005264
H -1.077140 0.480448 -1.179233
H -2.207365 1.979370 0.497129
H -2.085204 0.708824 1.735454
H -4.831712 1.962988 -0.564324
H -6.631791 -0.078174 -0.966297
H -5.313250 -2.377438 -0.101906


