%chk=000094416.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094416

0 1
 O   -3.988000      0.9172000      0.8118000    
 N   -2.710600     -0.4412000     -0.6281000    
 C    2.866200     -7.3899999E-02  0.3833000    
 C    1.401800     -0.1701000      0.1180000    
 C    3.271800       1.283300      0.9914000    
 C    3.717400     -0.3624000     -0.8692000    
 C   0.6343000      -1.127500      0.7812000    
 C   0.7996000      0.6971000     -0.7935000    
 C  -0.7353000      -1.217600      0.5330000    
 C  -0.5699000      0.6069000      -1.041900    
 C   -1.337500     -0.3505000     -0.3787000    
 C   -3.349800      0.2388000      9.2799999E-02
 H    3.140700     -0.8374000       1.124300    
 H    3.106800       2.109800      0.2919000    
 H    4.333400       1.281100       1.261300    
 H    2.694000       1.490800       1.898800    
 H    3.459300      -1.336900      -1.298500    
 H    4.782500     -0.3780000     -0.6142000    
 H    3.571000      0.3960000      -1.645900    
 H    1.087200      -1.811500       1.494100    
 H    1.378600       1.449700      -1.321500    
 H   -1.322900      -1.969200       1.054100    
 H   -1.027900       1.286500      -1.756100    


%chk=000094416-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000094416

0 1
O -5.147716 -0.012387 -0.390976
N -2.728466 -0.058083 -0.173352
C 3.022623 -0.135186 0.340425
C 1.499438 -0.115717 0.198987
C 3.551032 1.186034 0.962613
C 3.722402 -0.425014 -1.014350
C 0.687509 -1.020587 0.928307
C 0.850553 0.811151 -0.659947
C -0.718063 -1.011371 0.813409
C -0.550754 0.837379 -0.789319
C -1.348191 -0.077902 -0.049826
C -3.930204 -0.036463 -0.275921
H 3.283403 -0.959245 1.034826
H 3.332037 2.049258 0.306734
H 4.646876 1.137305 1.102207
H 3.083782 1.381132 1.944582
H 3.376271 -1.380659 -1.447386
H 4.818419 -0.480904 -0.879521
H 3.514305 0.374536 -1.749544
H 1.161889 -1.746840 1.599286
H 1.446505 1.525347 -1.239935
H -1.331922 -1.716961 1.382576
H -1.039027 1.556178 -1.455475


