%chk=000050585.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050585

0 1
 O   0.3924000      -1.194200      -1.134600    
 O   -1.154200       1.362300       2.433500    
 O    3.976700      -1.892700      0.7689000    
 O    1.925400       1.833500      -1.036200    
 N    2.663200     -8.6800002E-02  7.4100003E-02
 N  -0.7953000      3.3900000E-02  0.5047000    
 C    1.482600     -0.3537000      0.8399000    
 C    1.055200      0.8089000       1.708700    
 C   0.3105000     -0.5763000     -8.1400000E-02
 C  -0.4443000      0.7879000       1.618800    
 C    4.804700     -0.2847000     -0.8213000    
 C    4.132100      0.9428000      -1.413100    
 C    3.789200     -0.8776000      0.1125000    
 C    2.767400      0.9814000     -0.7885000    
 C   -2.134500     -9.3000002E-02  1.1900000E-02
 C   -2.844200       1.039900     -0.3984000    
 C   -2.741700      -1.350400     -6.2399998E-02
 C   -4.148200      0.9164000     -0.8782000    
 C   -4.045500      -1.473900     -0.5423000    
 C   -2.228300       2.400000     -0.3335000    
 C   -2.014400      -2.583200      0.3673000    
 C   -4.748800     -0.3405000     -0.9504000    
 H    1.610100      -1.261200       1.442300    
 H    1.412900       1.790500       1.387300    
 H    1.368500      0.6531000       2.746000    
 H    5.706800     -1.5900001E-02 -0.2640000    
 H    5.061300      -1.011700      -1.597400    
 H    4.678500       1.857000      -1.163300    
 H    4.038900      0.8616000      -2.500000    
 H   -4.710100       1.790100      -1.197600    
 H   -4.526500      -2.446300     -0.6067000    
 H   -2.716400       3.081100      -1.040700    
 H   -2.341600       2.829500      0.6657000    
 H   -1.170700       2.386700     -0.6155000    
 H   -2.720600      -3.380100      0.6286000    
 H   -1.411900      -2.412700       1.265200    
 H   -1.379700      -2.959600     -0.4399000    
 H   -5.764000     -0.4367000      -1.324100    


%chk=000050585-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050585

0 1
O 0.297823 -1.283262 -1.160565
O -1.291764 1.154929 2.530445
O 4.145921 -1.754655 0.740458
O 1.683888 1.847996 -0.950406
N 2.690594 -0.021141 0.068388
N -0.820300 -0.105692 0.575161
C 1.531266 -0.454304 0.849068
C 1.044975 0.529479 1.937702
C 0.299502 -0.675880 -0.069443
C -0.476289 0.589321 1.772886
C 4.848878 -0.029707 -0.938079
C 4.029047 1.155130 -1.508366
C 3.918317 -0.736663 0.049930
C 2.670984 1.087013 -0.808820
C -2.163129 -0.150940 0.027426
C -2.706119 1.038015 -0.531085
C -2.873160 -1.381219 0.056431
C -4.014499 0.969781 -1.069036
C -4.177076 -1.402807 -0.493739
C -1.923378 2.336484 -0.556543
C -2.260572 -2.636092 0.648765
C -4.745225 -0.237201 -1.051375
H 1.818367 -1.430281 1.285264
H 1.446807 1.545152 1.781807
H 1.303945 0.214426 2.960929
H 5.763434 0.287869 -0.408804
H 5.158890 -0.753226 -1.711029
H 4.490350 2.138329 -1.314152
H 3.868105 1.083035 -2.597500
H -4.455529 1.871719 -1.508134
H -4.745886 -2.339274 -0.480815
H -2.406956 3.068084 -1.225441
H -1.878084 2.783374 0.454591
H -0.883010 2.191022 -0.899337
H -3.014972 -3.435661 0.736191
H -1.843754 -2.453146 1.656476
H -1.440240 -3.014300 0.010490
H -5.755649 -0.270306 -1.473842


