%chk=000042608.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000042608

0 1
 O  -0.5460000      -2.935800     -0.2348000    
 O   -2.672100       3.068200     -0.1291000    
 O   -1.565400       1.846800      -1.694400    
 N    3.958600      -1.417400      0.6989000    
 N   -1.023800     -0.6750000     -0.6496000    
 C    2.175000      -1.251400     -0.6119000    
 C    2.564700      6.0699999E-02 -0.2227000    
 C    3.686000     -7.1699999E-02  0.5992000    
 C    1.036900      -1.609300      -1.482800    
 C    3.050900      -2.138400     -2.9600000E-02
 C    2.069600       1.352200     -0.4916000    
 C    4.339600       1.027300       1.167800    
 C  -0.2648000      -1.841400     -0.7128000    
 C    2.713300       2.460800      7.0400000E-02
 C    3.830600       2.298500      0.8871000    
 C   -2.281200     -0.4961000     -2.5400000E-02
 C   -2.907900      0.7399000     -5.2200001E-02
 C   -2.862100      -1.583200      0.6097000    
 C   -4.146200      0.8930000      0.5711000    
 C   -4.100600      -1.430100       1.233000    
 C   -4.742600     -0.1920000       1.213800    
 C   -2.312400       1.894200     -0.7141000    
 H   0.8839000     -0.8448000      -2.254300    
 H    1.255600      -2.535100      -2.030700    
 H    3.110700      -3.217300     -6.6500001E-02
 H    4.718900      -1.814900       1.233000    
 H    1.206500       1.501200      -1.132200    
 H    5.209600      0.9020000       1.803600    
 H    2.337000       3.459500     -0.1353000    
 H  -0.6384000      0.1488000      -1.101700    
 H    4.315300       3.173400       1.312800    
 H   -2.438100      -2.573400      0.6731000    
 H   -4.679300       1.840200      0.5628000    
 H   -4.566800      -2.274200       1.733000    
 H   -5.708300     -7.3899999E-02   1.696500    
 H   -2.267700       3.839800     -0.5802000    


%chk=000042608-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000042608

0 1
O -0.548284 -2.974725 -0.386389
O -3.090287 3.064864 -0.548042
O -1.250347 1.905096 -1.316635
N 3.927915 -1.461732 0.778990
N -1.065022 -0.692406 -0.689961
C 2.185210 -1.224479 -0.679227
C 2.617466 0.099347 -0.256961
C 3.717537 -0.082762 0.656367
C 1.043859 -1.562173 -1.614033
C 3.005264 -2.144333 -0.025202
C 2.191482 1.420960 -0.561755
C 4.392947 1.002151 1.257500
C -0.264480 -1.828874 -0.842956
C 2.861656 2.506154 0.035339
C 3.950423 2.300801 0.934264
C -2.290110 -0.559920 -0.007439
C -2.940808 0.728821 0.014556
C -2.910357 -1.653786 0.660975
C -4.178456 0.879019 0.701036
C -4.134302 -1.471012 1.329398
C -4.777845 -0.207566 1.356258
C -2.342742 1.891278 -0.664301
H 0.901431 -0.751033 -2.352716
H 1.266337 -2.488550 -2.170111
H 2.985684 -3.231587 -0.068971
H 4.641522 -1.900257 1.356401
H 1.351114 1.606222 -1.240181
H 5.229289 0.847951 1.948723
H 2.542083 3.529511 -0.190741
H -0.729547 0.191528 -1.113298
H 4.449906 3.167462 1.381652
H -2.413967 -2.625280 0.639002
H -4.650332 1.864943 0.704179
H -4.592678 -2.326964 1.837463
H -5.729682 -0.079704 1.880867
H -2.612879 3.792133 -1.030151


