%chk=000040365.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040365

0 1
 O   0.4924000       1.273300       1.223200    
 O   0.4349000       1.974700      -1.082300    
 O   -5.347200      -1.856800      0.3242000    
 O    5.164600      -2.057300     -0.3806000    
 O    4.354600      -1.979200       1.658200    
 N   -3.127700     -0.2197000     -0.3797000    
 N    4.336000      -1.623100      0.4554000    
 C  -0.1705000       2.092800      0.2289000    
 C   -1.628200       1.645500      0.1289000    
 C   -1.725700      0.1785000     -0.2726000    
 C   -3.812300     -7.2099999E-02  0.9123000    
 C   -3.241700      -1.605600     -0.8543000    
 C  -8.2400002E-02   3.553100      0.6711000    
 C   -5.269500     -0.5053000      0.7790000    
 C   -4.712500      -2.001900     -0.9468000    
 C    1.473400      0.6896000      0.4803000    
 C    1.440500       1.090000     -0.8359000    
 C    2.415200     -0.2053000      0.9438000    
 C    2.347600      0.6177000      -1.761600    
 C    3.346000     -0.6991000      2.6699999E-02
 C    3.312400     -0.2900000      -1.318200    
 H   -2.161400       2.263100     -0.6051000    
 H   -2.072000       1.817600       1.113800    
 H   -1.204200     -0.4639000      0.4474000    
 H   -1.249100      3.5900000E-02  -1.249500    
 H   -3.845600      0.9652000       1.253900    
 H   -3.317400     -0.6779000       1.682200    
 H   -2.723300      -2.287300     -0.1673000    
 H   -2.783900      -1.708400      -1.844800    
 H  -0.5768000       4.216500     -4.6200000E-02
 H  -0.5246000       3.697700       1.662300    
 H   0.9648000       3.870700      0.7357000    
 H   -5.764800     -0.4546000       1.754100    
 H   -5.824500      0.1446000      9.1200002E-02
 H   -5.247100      -1.402400      -1.693600    
 H   -4.797500      -3.052300      -1.243100    
 H    2.407700     -0.4965000       1.988900    
 H    2.317500      0.9358000      -2.797500    
 H    4.028300     -0.6634000      -2.046700    


%chk=000040365-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000040365

0 1
O 0.529562 1.274157 1.136698
O 0.455677 1.678254 -1.236546
O -5.664119 -1.859942 0.293245
O 5.614122 -1.866698 -0.060959
O 4.739077 -1.589093 2.029281
N -3.327990 -0.211398 -0.253253
N 4.722397 -1.395892 0.749688
C -0.211575 2.069518 0.078819
C -1.675694 1.636126 0.056264
C -1.889147 0.147844 -0.291392
C -3.848898 -0.385102 1.129650
C -3.628768 -1.424613 -1.060904
C 0.038229 3.553734 0.315184
C -5.361022 -0.662388 1.092820
C -5.144283 -1.682688 -1.073023
C 1.626327 0.674207 0.494742
C 1.575690 0.911408 -0.903897
C 2.639678 -0.077924 1.080636
C 2.544300 0.401097 -1.777516
C 3.620365 -0.591579 0.185980
C 3.588506 -0.367382 -1.210118
H -2.219189 2.257928 -0.678120
H -2.092900 1.869095 1.053347
H -1.281562 -0.491234 0.394638
H -1.521559 -0.027293 -1.318487
H -3.667991 0.535059 1.715523
H -3.332366 -1.229901 1.651877
H -3.109474 -2.329450 -0.655929
H -3.275975 -1.261887 -2.096980
H -0.422761 4.147383 -0.492119
H -0.400314 3.860480 1.279821
H 1.120731 3.763366 0.336879
H -5.749925 -0.875706 2.102166
H -5.888964 0.217673 0.665625
H -5.661497 -0.829243 -1.562581
H -5.385103 -2.618218 -1.604244
H 2.700474 -0.277134 2.151739
H 2.492296 0.591566 -2.851870
H 4.379648 -0.793932 -1.830983


