%chk=000048159.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048159

0 1
 O  -0.9942000      -2.464100     -1.6200000E-02
 O  -0.2531000       2.254600     -0.3323000    
 O   -4.399400      0.5401000      0.5980000    
 N   -2.681000     -0.9420000      0.2488000    
 N   -2.318200       1.368000      9.3199998E-02
 C  -0.4656000     -0.1501000     -0.4802000    
 C   0.9039000     -0.3213000      0.1901000    
 C  -0.3092000     -0.2705000      -1.972700    
 C   -1.375800      -1.292800     -5.1600002E-02
 C  -0.9746000       1.261400     -0.2231000    
 C    2.016500     -0.4591000     -0.5556000    
 C    3.424700     -0.6681000     -7.5199999E-02
 C   0.8675000     -0.3043000       1.692100    
 C    4.170000      0.6604000      4.9699999E-02
 C   -3.215400      0.3357000      0.3239000    
 C    5.604000      0.4521000      0.5111000    
 H   8.6800002E-02  -1.241700      -2.297300    
 H   -1.293000     -0.1948000      -2.459400    
 H   0.2829000      0.5364000      -2.423900    
 H    1.995600     -0.4319000      -1.639200    
 H    3.435800      -1.200900      0.8822000    
 H    3.942200      -1.323600     -0.7869000    
 H   0.3757000      -1.200900       2.081900    
 H    1.866400     -0.2625000       2.135200    
 H   0.3291000      0.5735000       2.063400    
 H   -3.312400      -1.706600      0.4713000    
 H   -2.681500       2.311000      0.2009000    
 H    3.656700       1.316000      0.7636000    
 H    4.176800       1.180200     -0.9161000    
 H    6.157900     -0.1706000     -0.1986000    
 H    6.119300       1.414300      0.5930000    
 H    5.633800     -3.3799998E-02   1.491600    


%chk=000048159-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000048159

0 1
O -1.199065 -2.489421 -0.743437
O -0.516806 2.336835 -0.747285
O -4.100365 0.384245 1.466360
N -2.590719 -1.022312 0.367463
N -2.246366 1.315115 0.388444
C -0.491864 -0.128764 -0.724547
C 0.797689 -0.310838 0.140230
C -0.244450 -0.162338 -2.257957
C -1.435289 -1.308324 -0.387658
C -1.066993 1.268500 -0.382787
C 2.024425 -0.381097 -0.444259
C 3.370251 -0.538373 0.229654
C 0.550707 -0.391439 1.637938
C 4.334519 0.636207 -0.098868
C -3.050292 0.235591 0.793777
C 5.738483 0.427660 0.507567
H 0.208151 -1.124938 -2.542615
H -1.199384 -0.056410 -2.803101
H 0.408596 0.674043 -2.552209
H 2.087995 -0.309488 -1.538202
H 3.276568 -0.634972 1.326753
H 3.839226 -1.480341 -0.126695
H -0.027140 -1.297585 1.905918
H 1.493240 -0.427727 2.204485
H -0.020415 0.482379 2.007535
H -3.187628 -1.818377 0.616791
H -2.592757 2.245358 0.646924
H 3.894757 1.580819 0.275474
H 4.415275 0.744207 -1.199206
H 6.205698 -0.496720 0.118358
H 6.408821 1.272875 0.267659
H 5.687333 0.339730 1.609200


