%chk=000048183.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048183

0 1
 O   -3.117400     -0.6357000      -1.678900    
 O   -4.322000     -0.5411000      0.4061000    
 O    3.304400     -0.6307000      0.1385000    
 O    1.447200      -1.919400     -0.3036000    
 N    1.441700       4.003200     -0.7439000    
 C    1.197800      0.3790000      0.4953000    
 C    1.625400       1.586300     -0.3672000    
 C  -0.3035000      0.1337000      0.5085000    
 C   0.9900000       2.900000      9.7400002E-02
 C  -0.9428000     -0.1398000     -0.6868000    
 C    1.959900     -0.8682000      5.7700001E-02
 C  -0.9778000      0.1937000       1.724700    
 C   -2.304200     -0.3551000     -0.6244000    
 C   -2.992100     -0.3010000      0.5662000    
 C   -2.356600     -2.8400000E-02   1.760100    
 C   -4.394300     -0.7528000      -1.018600    
 C    4.148900      -1.723100     -0.2378000    
 C    5.595500      -1.300600     -9.3500003E-02
 H    1.523300      0.5688000       1.528300    
 H    2.717100       1.698000     -0.3332000    
 H    1.376900       1.404400      -1.421200    
 H  -0.1019000       2.853000      4.4399999E-02
 H    1.262200       3.107200       1.137800    
 H  -0.4191000     -0.1874000      -1.634400    
 H  -0.4540000      0.4110000       2.651200    
 H   -2.902200      1.3800000E-02   2.695900    
 H   -4.794700      -1.756000      -1.204500    
 H   -5.080700     -1.4500000E-02  -1.448700    
 H    1.202800       3.812000      -1.716300    
 H    2.458900       4.063600     -0.7126000    
 H    3.947300      -2.581500      0.4127000    
 H    3.946200      -1.999400      -1.278500    
 H    6.270500      -2.113900     -0.3742000    
 H    5.807500     -0.4311000     -0.7243000    
 H    5.809000      -1.004000      0.9388000    


%chk=000048183-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048183

0 1
O -3.093336 -0.859938 -1.477902
O -3.989494 -0.893562 0.747977
O 3.180735 -0.861083 0.261301
O 2.147291 -0.639645 -1.814776
N 0.917167 4.595943 -0.829755
C 1.449983 0.809319 0.075686
C 1.529059 2.118940 -0.770128
C 0.007254 0.337451 0.300714
C 0.874013 3.336928 -0.062986
C -0.796835 -0.055162 -0.812891
C 2.261712 -0.285940 -0.616758
C -0.528734 0.308336 1.611719
C -2.103814 -0.456639 -0.542685
C -2.632492 -0.478554 0.766636
C -1.867582 -0.098873 1.870090
C -4.239713 -1.324068 -0.653986
C 4.024087 -1.966241 -0.298769
C 4.965200 -2.408522 0.816604
H 1.916326 0.988422 1.061087
H 2.593471 2.353019 -0.976776
H 1.044591 1.948273 -1.750623
H -0.183275 3.108626 0.164339
H 1.373390 3.507576 0.911454
H -0.391195 -0.065358 -1.828351
H 0.104239 0.605551 2.454951
H -2.278686 -0.113697 2.882453
H -4.284716 -2.429130 -0.688272
H -5.161054 -0.843167 -1.017190
H 0.336142 4.592564 -1.673891
H 1.862944 4.941434 -1.021554
H 3.350669 -2.775560 -0.634032
H 4.561511 -1.577888 -1.182727
H 5.611850 -3.230015 0.457674
H 5.611128 -1.575039 1.141677
H 4.397362 -2.770301 1.690686


