%chk=000049180.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049180

0 1
 O   0.2489000      -1.581800      0.2066000    
 O    2.844600       2.092400     -0.3848000    
 O   -1.679200       2.572300     -0.7669000    
 N  -0.8797000      0.4474000     -0.1259000    
 N   0.5698000       2.246700     -0.6649000    
 C    1.442600      0.4484000      0.7151000    
 C    2.685300     -0.4560000      0.7535000    
 C    1.160300      0.9630000       2.137700    
 C    3.060900     -0.9225000     -0.6460000    
 C   0.2252000     -0.3501000      0.2486000    
 C    1.718500       1.645600     -0.1764000    
 C    4.313900      -1.797100     -0.6067000    
 C   0.9083000     -0.1854000       3.089100    
 C  -0.7471000       1.795100     -0.5440000    
 C   -2.183800     -0.1791000     -0.1670000    
 C    4.724300      -2.245300      -2.000300    
 C   -2.465200      -1.236000      0.6902000    
 C   -3.140200      0.2836000      -1.062600    
 C   -3.722100      -1.839600      0.6511000    
 C   -4.397100     -0.3200000      -1.101600    
 C   -4.688100      -1.381600     -0.2448000    
 H    2.521100      -1.350700       1.364700    
 H    3.534200      7.9999998E-02   1.198500    
 H   0.2868000       1.626800       2.150800    
 H    2.001900       1.564500       2.504500    
 H    2.255600      -1.499500      -1.111200    
 H    3.262900     -8.2400002E-02  -1.316900    
 H    4.133100      -2.681000      1.6100001E-02
 H    5.143100      -1.242500     -0.1520000    
 H   0.1005000     -0.8480000       2.772100    
 H    1.805000     -0.7821000       3.277000    
 H   0.6099000      0.2211000       4.062800    
 H   0.6954000       3.142400      -1.128100    
 H    4.947600      -1.385500      -2.640000    
 H    3.929500      -2.829800      -2.474600    
 H    5.620800      -2.871200      -1.948200    
 H   -1.766900      -1.593100       1.439500    
 H   -2.948900       1.050200      -1.804700    
 H   -3.953000      -2.658900       1.325700    
 H   -5.144300      2.4499999E-02  -1.810700    
 H   -5.666300      -1.852400     -0.2762000    


%chk=000049180-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049180

0 1
O 0.032673 -1.533788 0.754880
O 2.785596 2.374986 0.174595
O -1.682674 2.446122 -1.024120
N -0.887906 0.460525 -0.028064
N 0.548696 2.335220 -0.397226
C 1.471595 0.434116 0.926092
C 2.706666 -0.486451 0.713241
C 1.322609 0.846386 2.457391
C 2.975743 -0.856430 -0.762196
C 0.184567 -0.307624 0.528268
C 1.685121 1.764594 0.195480
C 4.211871 -1.772160 -0.913243
C 1.199207 -0.323819 3.452487
C -0.746298 1.789117 -0.508445
C -2.189045 -0.183213 -0.199123
C 4.498808 -2.149768 -2.382103
C -2.917560 -0.570581 0.944989
C -2.694885 -0.416491 -1.494862
C -4.169895 -1.202520 0.788466
C -3.951241 -1.042509 -1.644267
C -4.689682 -1.438157 -0.505250
H 2.545671 -1.411564 1.293307
H 3.587548 0.037455 1.129535
H 0.443822 1.514976 2.558876
H 2.216873 1.453029 2.695923
H 2.091366 -1.375259 -1.184787
H 3.137533 0.063500 -1.359473
H 4.056936 -2.693613 -0.316034
H 5.096665 -1.261829 -0.481217
H 0.365509 -1.000475 3.198262
H 2.121359 -0.928292 3.490155
H 1.022401 0.078355 4.466769
H 0.654989 3.271048 -0.803501
H 4.682518 -1.246943 -2.994733
H 3.641599 -2.689269 -2.827211
H 5.388044 -2.801092 -2.465693
H -2.506608 -0.387623 1.943136
H -2.120521 -0.103201 -2.372091
H -4.737195 -1.508327 1.673948
H -4.351178 -1.220247 -2.648145
H -5.663194 -1.925782 -0.624917


