%chk=000028245.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028245

0 1
 O  -0.7791000       2.389400      -1.905400    
 O   -1.415700       2.341900      0.1949000    
 N   -3.984100     -0.5597000      0.3771000    
 N  -0.4678000     -0.3397000     -0.7257000    
 N    3.539400     -0.1875000      0.4914000    
 N  -0.5235000       2.314700     -0.6825000    
 C   -2.868600     -0.4586000     -0.5557000    
 C   -1.547300     -0.4112000      0.2009000    
 C   0.8895000     -0.2558000     -0.3127000    
 C    1.516300      0.9753000     -9.4899997E-02
 C    1.589000      -1.452700     -0.1282000    
 C   -5.166200      -1.108900     -0.2898000    
 C   -4.291500      0.7487000      0.9578000    
 C    2.861200      0.9625000      0.3122000    
 C    2.930900      -1.370500      0.2802000    
 C   0.8375000       2.193400     -0.2728000    
 C   0.9841000      -2.703900     -0.3399000    
 C   -4.870100      -2.468100     -0.9005000    
 C   -5.409000      0.6460000       1.981900    
 C    3.490800       2.184900      0.5305000    
 C    3.632700      -2.558700      0.4657000    
 C    1.489800       3.402000     -4.7899999E-02
 C    2.819200       3.397300      0.3547000    
 C    1.707700      -3.877000     -0.1476000    
 C    3.034700      -3.803800      0.2560000    
 H   -2.979400      0.4099000      -1.218600    
 H   -2.785100      -1.321500      -1.221900    
 H   -1.460000      -1.361900      0.7470000    
 H   -1.494300      0.3295000      0.9974000    
 H  -0.5892000     -0.8396000      -1.602900    
 H   -5.969300      -1.279000      0.4346000    
 H   -5.553000     -0.4335000      -1.063200    
 H   -3.420500       1.141900       1.490400    
 H   -4.563700       1.484400      0.1904000    
 H  -4.8700001E-02  -2.807300     -0.6611000    
 H   -4.370100      -2.398000      -1.871300    
 H   -4.277700      -3.101900     -0.2314000    
 H   -5.814100      -2.994000      -1.086800    
 H   -6.391700      0.5150000       1.518700    
 H   -5.236700     -0.1712000       2.690800    
 H   -5.459800       1.574500       2.562000    
 H    4.532200       2.207800      0.8464000    
 H    4.673900      -2.527900      0.7817000    
 H   0.9814000       4.354000     -0.1802000    
 H    3.337900       4.334700      0.5330000    
 H    1.238900      -4.842200     -0.3131000    
 H    3.608500      -4.713200      0.4087000    


%chk=000028245-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000028245

0 1
O -0.620572 1.287160 -1.911535
O -1.517584 2.908159 -0.573400
N -4.157128 -0.161910 0.091882
N -0.498911 -1.101436 -0.347035
N 3.514615 -0.298445 0.769271
N -0.608827 2.013118 -0.839653
C -2.925632 -0.511057 -0.648995
C -1.711526 -0.567540 0.312207
C 0.813019 -0.711325 -0.211868
C 1.247769 0.603913 0.201632
C 1.854791 -1.699908 -0.445686
C -5.329085 -1.018101 -0.219078
C -4.467736 1.295041 0.124208
C 2.584455 0.701994 0.793606
C 3.184667 -1.439336 0.076376
C 0.508445 1.841407 0.113148
C 1.620918 -2.939375 -1.127355
C -5.214549 -2.434713 0.376889
C -5.143824 1.728705 1.439252
C 2.971570 1.919205 1.462030
C 4.206139 -2.436965 -0.088805
C 0.919292 3.017547 0.748913
C 2.145208 3.039016 1.476575
C 2.639333 -3.881062 -1.290834
C 3.944434 -3.630506 -0.757545
H -2.704339 0.195281 -1.478823
H -3.051637 -1.511696 -1.109699
H -1.984000 -1.232635 1.157084
H -1.511191 0.420842 0.750003
H -0.632414 -2.047780 -0.709192
H -6.221431 -0.527946 0.211216
H -5.507200 -1.086071 -1.321881
H -3.522917 1.854318 0.005647
H -5.111773 1.583191 -0.742551
H 0.647326 -3.153325 -1.587175
H -4.340918 -2.980443 -0.025746
H -5.105599 -2.377498 1.474022
H -6.116198 -3.029729 0.139129
H -6.102610 1.202599 1.603681
H -4.485392 1.509198 2.297965
H -5.354324 2.814464 1.422639
H 3.959791 1.919822 1.931458
H 5.192460 -2.207302 0.325347
H 0.316388 3.920646 0.622775
H 2.457899 3.957797 1.981909
H 2.442600 -4.809529 -1.837159
H 4.735598 -4.377292 -0.884549


