%chk=000022469.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000022469

0 1
 O    3.542000      0.8257000     -0.4549000    
 O    2.520600      -2.575700     -0.5202000    
 O    3.537800      0.7034000       1.860900    
 N    2.578400     -0.2329000     -0.4579000    
 C   -2.094900      -1.554600      0.7934000    
 C  -0.9936000     -0.6990000      0.2031000    
 C   -1.532600      0.4748000     -0.3698000    
 C   -3.326000     -0.7275000      0.4877000    
 C   -2.968900      0.4573000     -0.1946000    
 C   0.3665000     -0.9538000      0.1846000    
 C  -0.7048000       1.408900     -0.9700000    
 C    1.200700     -1.2100000E-02 -0.4205000    
 C   -4.644000      -1.015100      0.7961000    
 C   -3.939100       1.369300     -0.5755000    
 C   0.6705000       1.157600     -0.9917000    
 C   -5.621800     -9.5600002E-02  0.4120000    
 C   -5.272900       1.084700     -0.2669000    
 C    3.152500      -1.518600     -0.5022000    
 C    4.664600      -1.583700     -0.5390000    
 C    3.930100       1.189400      0.8086000    
 C    4.934700       2.297600      0.7170000    
 H   -1.961800      -1.666800       1.873300    
 H   -2.144400      -2.524200      0.2894000    
 H   0.7277000      -1.841400      0.6893000    
 H   -1.099500       2.315800      -1.416000    
 H   -4.914600      -1.925000       1.319900    
 H   -3.685300       2.284500      -1.099700    
 H    1.324200       1.886600      -1.465700    
 H   -6.665900     -0.2930000      0.6399000    
 H   -6.052200       1.785300     -0.5556000    
 H    4.976600      -2.606000     -0.7745000    
 H    5.076300      -1.315500      0.4367000    
 H    5.064600     -0.9257000      -1.314900    
 H    5.241100       2.593100       1.724500    
 H    5.816800       1.953400      0.1713000    
 H    4.487700       3.163000      0.2214000    


%chk=000022469-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000022469

0 1
O 3.522790 0.708306 -0.513396
O 2.674121 -2.798382 -0.390145
O 3.633830 0.715945 1.852653
N 2.672808 -0.477499 -0.411805
C -2.184499 -1.654184 0.676233
C -1.012848 -0.816405 0.177585
C -1.484908 0.442629 -0.302784
C -3.382516 -0.741780 0.436086
C -2.949188 0.491408 -0.143236
C 0.349053 -1.146524 0.157321
C -0.567641 1.382147 -0.820598
C 1.265448 -0.192302 -0.367816
C -4.744727 -0.965208 0.700631
C -3.883777 1.503105 -0.458867
C 0.804365 1.060779 -0.859097
C -5.682364 0.050318 0.383129
C -5.253382 1.273176 -0.191567
C 3.334517 -1.720543 -0.413541
C 4.854034 -1.673806 -0.449347
C 3.902047 1.263345 0.777629
C 4.631245 2.560488 0.528281
H -2.074971 -1.923089 1.745104
H -2.270747 -2.607806 0.119429
H 0.711603 -2.111597 0.512842
H -0.906646 2.351189 -1.202769
H -5.083644 -1.908306 1.144928
H -3.559883 2.451268 -0.903121
H 1.522746 1.769922 -1.278512
H -6.747794 -0.110089 0.582977
H -5.992102 2.046649 -0.430328
H 5.212653 -2.705649 -0.576408
H 5.256908 -1.273325 0.498691
H 5.227284 -1.043003 -1.273519
H 5.426744 2.687140 1.279186
H 5.051069 2.597133 -0.488176
H 3.919470 3.398749 0.641826


