%chk=000049160.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049160

0 1
 O  -9.9699996E-02  0.5093000       2.270500    
 O   0.5851000      0.1426000      -2.471500    
 O    1.185800      -3.436000      0.3266000    
 N   0.5380000      -1.444600       1.266600    
 N   0.8747000      -1.623000      -1.046200    
 C   0.1492000      0.5448000     -0.1306000    
 C    1.042700       1.792200     -0.1021000    
 C    2.487400       1.421900      0.2031000    
 C   0.1839000     -0.1071000       1.241200    
 C   0.5555000     -0.3054000      -1.323400    
 C   -1.287700      0.9201000     -0.3620000    
 C    3.367800       2.660100      0.2555000    
 C   -2.295900      3.6400001E-02 -0.3838000    
 C   0.8851000      -2.248600      0.1914000    
 C   -3.728900      0.4116000     -0.6203000    
 C   -4.443000      0.7258000      0.6851000    
 H   0.6874000       2.501300      0.6585000    
 H   0.9997000       2.325700      -1.061600    
 H    2.887500      0.7464000     -0.5612000    
 H    2.571300      0.9069000       1.166100    
 H   -1.516900       1.970200     -0.5323000    
 H   0.5501000      -1.888400       2.180700    
 H    1.135300      -2.198700      -1.842100    
 H    3.354800       3.192700     -0.7008000    
 H    3.032100       3.348700       1.037600    
 H    4.403400       2.380000      0.4729000    
 H   -2.100700      -1.019100     -0.2128000    
 H   -4.234300     -0.4131000      -1.135600    
 H   -3.790500       1.280600      -1.286200    
 H   -5.490200      0.9792000      0.4908000    
 H   -3.979900       1.575500       1.198000    
 H   -4.423700     -0.1339000       1.363500    


%chk=000049160-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000049160

0 1
O 0.077956 -0.062826 2.215698
O 1.076440 0.098023 -2.534672
O 1.416106 -3.851032 -0.109051
N 0.687166 -1.928523 1.004076
N 1.206319 -1.848832 -1.298332
C 0.243618 0.219628 -0.222712
C 0.894254 1.632558 -0.035614
C 2.410197 1.605058 0.262386
C 0.337372 -0.567386 1.092819
C 0.888835 -0.485620 -1.436859
C -1.240802 0.399816 -0.620122
C 2.977003 3.030167 0.438311
C -2.329603 0.178055 0.157860
C 1.116613 -2.632117 -0.134870
C -3.754278 0.431388 -0.288819
C -4.479612 1.461949 0.614866
H 0.354372 2.125582 0.792723
H 0.705761 2.208826 -0.959850
H 2.946509 1.098968 -0.564864
H 2.599700 1.020432 1.184549
H -1.360192 0.779562 -1.645286
H 0.673503 -2.467413 1.876493
H 1.556615 -2.331627 -2.132410
H 2.822351 3.632333 -0.476370
H 2.480462 3.553206 1.276714
H 4.061499 3.006875 0.648723
H -2.206340 -0.175304 1.192292
H -4.317289 -0.524502 -0.258297
H -3.766914 0.775882 -1.340218
H -5.527390 1.598032 0.291103
H -3.975226 2.443792 0.576080
H -4.489606 1.129152 1.669252


