%chk=000018513.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018513

0 1
 O    5.934200      0.1495000      -1.942400    
 O    3.679000      -3.225600       1.262600    
 O   -6.802900      -1.895400     -0.7319000    
 O   -7.325900      0.1937000     -0.3064000    
 N    4.073900     -0.7537000     -2.9500000E-02
 N  -0.5137000      0.7562000     -0.3613000    
 N   -1.095600      0.3969000      0.6883000    
 N   -6.480500     -0.7287000     -0.4012000    
 C    3.118900      0.2792000      7.4199997E-02
 C    4.267600      -1.450500      -1.285500    
 C    4.863900      -1.141000       1.122200    
 C    1.775100      1.6000001E-02 -0.1917000    
 C    3.518200       1.563600      0.4435000    
 C    4.725200     -0.4745000      -2.356100    
 C    4.063500      -2.078500       2.010000    
 C   0.8307000       1.037400     -8.8799998E-02
 C    1.230000       2.322000      0.2802000    
 C    2.573800       2.585000      0.5464000    
 C   0.2377000       3.432400      0.3946000    
 C   -2.445100      0.1148000      0.4154000    
 C   -2.820400      -1.173400      4.7200002E-02
 C   -3.395700       1.125800      0.5153000    
 C   -5.117100     -0.4437000     -0.1254000    
 C   -4.159700      -1.453300     -0.2238000    
 C   -4.735100      0.8459000      0.2443000    
 H    3.344300      -1.949200      -1.601300    
 H    5.022900      -2.237900      -1.175200    
 H    5.185900     -0.2687000       1.702200    
 H    5.782400      -1.644000      0.7957000    
 H    1.455100     -0.9851000     -0.4720000    
 H    4.562300       1.789200      0.6439000    
 H    4.912500     -0.9986000      -3.298800    
 H    3.985700      0.3078000      -2.552000    
 H    4.657600      -2.404500       2.869500    
 H    3.154100      -1.599600       2.386400    
 H    2.901900       3.580500      0.8335000    
 H  -0.3613000       3.512400     -0.5188000    
 H  -0.4266000       3.263000       1.248200    
 H   0.7273000       4.401200      0.5418000    
 H    6.589900     -0.5521000      -1.790400    
 H    4.492300      -3.662200      0.9569000    
 H   -2.080600      -1.965700     -3.1099999E-02
 H   -3.106300       2.133000      0.8031000    
 H   -4.420600      -2.469400     -0.5086000    
 H   -5.453200       1.657200      0.3313000    


%chk=000018513-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000018513

0 1
O 4.583836 -2.036419 -2.550396
O 6.131506 -2.365579 1.652411
O -6.992073 -1.413814 -2.127926
O -7.452009 0.495790 -0.964593
N 3.942361 -0.674149 0.189996
N -0.671306 1.158131 0.416255
N -1.062352 0.100467 -0.256977
N -6.631152 -0.395760 -1.416554
C 3.029833 0.323903 0.562787
C 3.471312 -1.979000 -0.302561
C 5.395693 -0.438744 0.222360
C 1.640868 0.213699 0.285663
C 3.459588 1.506628 1.257372
C 3.291405 -2.053547 -1.835239
C 6.088043 -0.895824 1.525763
C 0.727819 1.226797 0.683394
C 1.158941 2.406663 1.372929
C 2.545283 2.506213 1.637341
C 0.196740 3.497347 1.798862
C -2.472193 0.056127 -0.501136
C -2.917673 -1.050711 -1.275043
C -3.414988 1.016835 -0.027295
C -5.194078 -0.241274 -1.101241
C -4.280107 -1.206499 -1.581832
C -4.776663 0.869286 -0.326120
H 2.510295 -2.222522 0.188139
H 4.191335 -2.749744 0.031332
H 5.595308 0.637598 0.063280
H 5.844400 -0.959314 -0.645085
H 1.219611 -0.633997 -0.259550
H 4.511786 1.639503 1.525800
H 2.707255 -2.961183 -2.100635
H 2.754442 -1.166174 -2.206231
H 7.112893 -0.467048 1.575278
H 5.518431 -0.558369 2.406616
H 2.920711 3.387822 2.169668
H -0.316621 3.946573 0.930029
H -0.594469 3.103483 2.460955
H 0.733435 4.298639 2.335703
H 5.013191 -2.923713 -2.449396
H 6.800518 -2.718262 1.012028
H -2.171335 -1.771288 -1.623038
H -3.049823 1.859246 0.566544
H -4.648557 -2.046197 -2.176193
H -5.525840 1.585785 0.021037


