%chk=000047575.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000047575

0 1
 O    3.383400     -0.7911000       1.213500    
 O    3.298700     -0.9186000      -1.192100    
 N   -1.666600     -0.2719000      0.2185000    
 N   -5.378500      3.1199999E-02  0.3621000    
 C    3.114900      -1.625200      5.9500001E-02
 C    1.664700      -2.101600      0.1358000    
 C   0.6954000     -0.9226000      0.1460000    
 C  -0.7527000      -1.407700      0.1884000    
 C    4.076100      -2.812700      8.8600002E-02
 C   -3.051000     -0.7202000      0.2698000    
 C   -3.990900      0.4801000      0.3287000    
 C    3.718700      0.3885000      0.6209000    
 C    3.670400      0.3156000     -0.7523000    
 C   -5.826600     -0.3558000     -0.9767000    
 C   -6.245400       1.077900      0.9053000    
 C    4.073200       1.550400       1.274500    
 C    3.974100       1.400700      -1.548300    
 C   -7.249500     -0.8873000     -0.9470000    
 C   -6.229800       2.315600      2.4400000E-02
 C    4.385300       2.664500      0.4919000    
 C    4.336100       2.590100     -0.9115000    
 H    1.512900      -2.691600       1.048300    
 H    1.438000      -2.744000     -0.7242000    
 H   0.8335000     -0.3055000     -0.7498000    
 H   0.8799000     -0.2838000       1.018200    
 H  -0.9527000      -2.032700     -0.6906000    
 H  -0.8975000      -2.027200       1.081900    
 H    3.911400      -3.479100     -0.7645000    
 H    3.976400      -3.383100       1.018000    
 H    5.114500      -2.466200      3.2099999E-02
 H   -3.209200      -1.345400       1.157900    
 H   -3.252000      -1.337800     -0.6115000    
 H   -3.791500       1.148700     -0.5192000    
 H   -3.748200       1.040300       1.242400    
 H   -1.521000      0.3103000     -0.6058000    
 H   -5.210900      -1.185300      -1.341300    
 H   -5.726300      0.4349000      -1.728600    
 H   -5.899400       1.349100       1.911200    
 H   -7.270700      0.7252000       1.059000    
 H    4.109600       1.603500       2.356600    
 H    3.934700       1.339000      -2.629800    
 H   -7.388400      -1.630000     -0.1537000    
 H   -7.992800     -9.3900003E-02 -0.8236000    
 H   -7.475300      -1.382800      -1.898100    
 H   -6.825700       3.096300      0.5130000    
 H   -6.691500       2.158400     -0.9541000    
 H   -5.233000       2.743100     -0.1150000    
 H    4.669000       3.598100      0.9701000    
 H    4.582100       3.466900      -1.504300    


%chk=000047575-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000047575

0 1
O 3.387367 -0.646798 1.251976
O 3.345424 -0.874401 -1.143866
N -1.776571 -0.400514 0.071079
N -5.543392 0.097438 0.181218
C 3.131147 -1.643446 0.142644
C 1.675994 -2.114043 0.215026
C 0.639985 -0.977515 0.107417
C -0.804971 -1.506639 0.189733
C 4.182487 -2.747003 0.228977
C -3.196068 -0.798493 0.179772
C -4.103671 0.450345 0.149426
C 3.913289 0.508885 0.634176
C 3.888934 0.375648 -0.772720
C -6.082873 -0.263256 -1.154060
C -6.377712 1.042653 0.965367
C 4.387741 1.665652 1.258281
C 4.338238 1.393025 -1.618844
C -7.430130 -1.007233 -1.087020
C -6.535419 2.475078 0.381589
C 4.850867 2.711023 0.409725
C 4.826659 2.577774 -0.997924
H 1.550343 -2.654965 1.173550
H 1.523683 -2.852710 -0.596644
H 0.787776 -0.445270 -0.853030
H 0.797683 -0.242995 0.917075
H -0.953557 -2.302247 -0.587591
H -0.965338 -1.995433 1.172183
H 4.055617 -3.458506 -0.604906
H 4.082787 -3.290909 1.183873
H 5.194828 -2.312956 0.173046
H -3.345173 -1.316354 1.145495
H -3.511722 -1.517250 -0.618187
H -3.841204 1.071585 -0.745995
H -3.860412 1.064679 1.035208
H -1.604591 0.157578 -0.778195
H -5.340936 -0.926556 -1.636918
H -6.184356 0.629825 -1.822907
H -5.932060 1.111514 1.976249
H -7.378663 0.592399 1.100439
H 4.398423 1.759246 2.347428
H 4.313186 1.279996 -2.705969
H -7.345699 -1.884384 -0.421379
H -8.244064 -0.363317 -0.707823
H -7.724797 -1.354811 -2.094513
H -7.144515 3.098950 1.062231
H -7.038161 2.462695 -0.602837
H -5.553181 2.967354 0.258567
H 5.232555 3.632792 0.860923
H 5.190125 3.397173 -1.626743


