%chk=000025131.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000025131

0 1
 O    2.774600      -1.330500      0.2249000    
 O   -2.248800     -0.3212000     -0.3993000    
 O   -2.404200      0.6557000       1.680300    
 N  -0.4146000       3.388500     -0.9690000    
 C    1.478800      -1.876400      0.5144000    
 C    2.751100     -0.1054000     -0.5212000    
 C   0.6141000     -0.8651000       1.277700    
 C    1.972400      0.9763000      0.2348000    
 C   0.5997000      0.4617000      0.5695000    
 C   0.8045000      -2.425700     -0.7422000    
 C    4.197600      0.3231000     -0.7385000    
 C  -0.5275000       1.110600      0.2487000    
 C   -1.823400      0.4763000      0.6193000    
 C  -0.4646000       2.365600     -0.4229000    
 C   -3.491200     -0.9977000     -0.1795000    
 C   -3.818500      -1.835700      -1.396900    
 H    1.660400      -2.729400       1.179300    
 H    2.302200     -0.2879000      -1.504600    
 H    1.064900     -0.6973000       2.265100    
 H  -0.3731000      -1.298300       1.460900    
 H    1.977400       1.898500     -0.3531000    
 H    2.479900       1.203500       1.181900    
 H   0.5254000      -1.635200      -1.445300    
 H    1.484000      -3.099900      -1.274300    
 H  -0.1047000      -2.978000     -0.4837000    
 H    4.711400      0.4721000      0.2177000    
 H    4.749600     -0.4578000      -1.272800    
 H    4.256000       1.249600      -1.317600    
 H   -3.403500      -1.643300      0.7015000    
 H   -4.284100     -0.2601000     -1.3100000E-02
 H   -4.763600      -2.369100      -1.262300    
 H   -3.891500      -1.206100      -2.289800    
 H   -3.024100      -2.565200      -1.586800    


%chk=000025131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000025131

0 1
O 3.337941 -0.965637 0.694325
O -2.858585 -0.205560 -0.692082
O -1.833669 -1.581130 0.878977
N -0.816722 1.956657 -2.225423
C 2.178932 -1.794969 1.088927
C 3.062170 -0.031335 -0.410930
C 0.973581 -0.878675 1.490785
C 1.862468 0.906119 -0.041015
C 0.661800 0.083615 0.369699
C 1.805456 -2.841345 0.022710
C 4.355571 0.750445 -0.644984
C -0.558963 0.189848 -0.281771
C -1.764738 -0.632608 0.054776
C -0.716963 1.151737 -1.345614
C -4.143157 -0.939940 -0.467359
C -5.187344 -0.270584 -1.353708
H 2.540285 -2.308330 1.997317
H 2.793592 -0.601973 -1.325406
H 1.296408 -0.289856 2.372327
H 0.106963 -1.495852 1.767206
H 1.644057 1.576915 -0.889039
H 2.192064 1.524948 0.817512
H 1.368831 -2.383024 -0.882370
H 2.701257 -3.416146 -0.269642
H 1.056512 -3.543338 0.431379
H 4.642385 1.301837 0.267842
H 5.175144 0.058034 -0.901414
H 4.232350 1.471414 -1.472680
H -3.980507 -2.002252 -0.725369
H -4.391942 -0.880039 0.607620
H -6.161292 -0.778252 -1.229816
H -5.310520 0.791703 -1.083404
H -4.896766 -0.326225 -2.416275


