%chk=000058722.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000058722

1 1
 O   0.7370000      0.7745000      0.8634000    
 N  -0.1133000     -4.5400001E-02  5.7000001E-03
 C   0.8005000      -1.011400     -0.7350000    
 C    2.133200     -0.3168000     -0.6761000    
 C   -1.098400     -0.7654000      0.8928000    
 C  -0.8292000      0.8942000     -0.9386000    
 C    2.084900      0.3224000      0.6877000    
 C   -1.976800      -1.656300      4.1900001E-02
 C   -1.738100       1.804300     -0.1417000    
 H   0.4313000      -1.180500      -1.750800    
 H   0.8395000      -1.955200     -0.1795000    
 H    2.982300     -0.9932000     -0.8028000    
 H    2.189200      0.4534000      -1.454000    
 H  -0.5098000      -1.376500       1.588300    
 H   -1.662800     -5.3800002E-02   1.501100    
 H  -6.0500000E-02   1.481700      -1.453500    
 H   -1.376400      0.3150000      -1.688700    
 H    2.313000     -0.3958000       1.482700    
 H    2.768400       1.171900      0.7696000    
 H   -2.612900      -2.259300      0.7000000    
 H   -2.654700      -1.089200     -0.6021000    
 H   -1.415600      -2.359700     -0.5792000    
 H   -2.072300       2.623700     -0.7889000    
 H   -2.650500       1.301500      0.1924000    
 H   -1.245700       2.264200      0.7204000    


%chk=000058722-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000058722

1 1
O 0.703620 0.766337 0.913682
N -0.148521 -0.087911 -0.026091
C 0.846450 -0.973695 -0.808425
C 2.200763 -0.252351 -0.667693
C -1.089637 -0.886397 0.887304
C -0.867635 0.914520 -0.952207
C 2.126529 0.298415 0.761572
C -2.077849 -1.766080 0.110428
C -1.736292 1.932040 -0.209642
H 0.495330 -1.068688 -1.846359
H 0.860384 -1.963788 -0.326243
H 3.038263 -0.955947 -0.799014
H 2.309365 0.557517 -1.407330
H -0.430159 -1.484165 1.538469
H -1.604222 -0.143044 1.514119
H -0.060806 1.415760 -1.512632
H -1.461411 0.304073 -1.655582
H 2.341435 -0.465753 1.529650
H 2.734738 1.199415 0.933801
H -2.648545 -2.361267 0.843989
H -2.808881 -1.176884 -0.467464
H -1.575679 -2.479301 -0.565858
H -2.101093 2.668915 -0.946334
H -2.625138 1.478293 0.260198
H -1.158709 2.478287 0.552760


