%chk=000045388.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000045388

0 1
 O   -6.685900      0.4165000     -0.8352000    
 O   0.5124000      0.7106000      0.3463000    
 N   -4.205600      0.4704000      0.5462000    
 N   -3.000600     -0.1958000      0.9489000    
 C   -5.352700     -0.2825000       1.069100    
 C   -4.262800      0.5274000     -0.9209000    
 C   -6.647700      0.3708000      0.5924000    
 C   -5.582500       1.162900      -1.351600    
 C   -1.873400      0.5725000      0.4463000    
 C    1.774300      0.1680000      0.7108000    
 C  -0.5590000     -6.1400000E-02  0.8725000    
 C    2.917700       1.068300      0.2847000    
 C    1.906500      -1.244200      0.1796000    
 C    4.081100       1.077100       1.031900    
 C    2.680800      -2.156200      0.8744000    
 C    2.768900       1.857600     -0.8408000    
 C    1.249600      -1.589900     -0.9880000    
 C    5.133000       1.905000      0.6399000    
 C    2.802700      -3.456900      0.3854000    
 C    3.821100       2.685400      -1.232700    
 C    1.371300      -2.890600      -1.476800    
 C    5.003000       2.709000     -0.4923000    
 C    2.147800      -3.824100     -0.7901000    
 H   -5.340900     -0.2898000       2.165500    
 H   -5.322800      -1.324400      0.7219000    
 H   -4.176900     -0.4761000      -1.358900    
 H   -3.497000       1.172400      -1.360300    
 H   -7.507600     -0.2170000      0.9292000    
 H   -6.761400       1.385200      0.9939000    
 H   -5.659400       2.205500      -1.019000    
 H   -5.661200       1.157300      -2.443600    
 H   -2.957300     -0.2266000       1.967700    
 H   -1.812100      0.5932000     -0.6461000    
 H   -1.903900       1.614400      0.7918000    
 H    1.784400      0.1344000       1.810500    
 H  -0.5628000      -1.106300      0.5537000    
 H  -0.4951000     -5.1500000E-02   1.968700    
 H    4.193100      0.4598000       1.918000    
 H    3.190600      -1.884500       1.793700    
 H    1.861400       1.847100      -1.436700    
 H   0.6643000     -0.8769000      -1.561300    
 H    6.052900       1.924300       1.216900    
 H    3.406400      -4.184000      0.9205000    
 H    3.721100       3.309900      -2.115600    
 H   0.8674000      -3.174900      -2.396000    
 H    5.822200       3.353300     -0.7977000    
 H    2.243700      -4.836400      -1.171700    


%chk=000045388-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000045388

0 1
O -7.141786 0.762222 -0.101363
O 0.533422 0.510105 0.261654
N -4.300168 0.196760 0.009827
N -3.074935 -0.301174 0.600763
C -4.883900 1.356383 0.746700
C -5.293929 -0.902096 -0.103101
C -6.150332 1.842026 0.017384
C -6.547389 -0.376738 -0.824681
C -1.871771 0.445629 0.165327
C 1.822544 -0.057502 0.704826
C -0.620837 -0.334039 0.593309
C 2.883656 1.034192 0.532326
C 2.153694 -1.350366 -0.044720
C 4.248311 0.720335 0.757010
C 2.258531 -2.580277 0.646805
C 2.528082 2.360788 0.190887
C 2.333704 -1.331130 -1.451311
C 5.241291 1.717729 0.647849
C 2.549345 -3.776514 -0.050603
C 3.524516 3.357615 0.073213
C 2.617441 -2.522487 -2.150851
C 4.882663 3.042651 0.304164
C 2.729298 -3.749544 -1.451776
H -4.138935 2.172673 0.779923
H -5.147086 1.072858 1.797571
H -5.586361 -1.294265 0.902287
H -4.830581 -1.724346 -0.674275
H -6.651149 2.645939 0.581400
H -5.872351 2.211671 -0.993107
H -6.277776 -0.064505 -1.856370
H -7.335042 -1.146825 -0.863740
H -3.143588 -0.352651 1.638983
H -1.910086 0.519325 -0.933582
H -1.802589 1.481218 0.572120
H 1.739332 -0.303121 1.790613
H -0.573493 -1.304960 0.063362
H -0.633664 -0.535844 1.690291
H 4.534628 -0.308889 1.005375
H 2.112540 -2.604126 1.734730
H 1.474727 2.594863 0.017169
H 2.247395 -0.378736 -1.986512
H 6.292093 1.461578 0.824949
H 2.630822 -4.723128 0.495435
H 3.238511 4.380815 -0.196829
H 2.754358 -2.498699 -3.237929
H 5.652960 3.817150 0.215234
H 2.952984 -4.674263 -1.995633


