%chk=000028414.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000028414

0 1
 O    2.588500      -1.715600     -0.5311000    
 O    4.908100     -0.9196000      0.3717000    
 O    5.384200       1.255500     -0.2619000    
 N   -3.341500      0.6898000     -3.1700000E-02
 N    1.313100       2.019600      0.3860000    
 C   -1.969400      0.3573000     -8.9800000E-02
 C   -1.564500     -0.9390000     -0.4094000    
 C   -2.567300      -2.009200     -0.6978000    
 C   0.7425000     -0.2676000     -0.1995000    
 C   0.3448000       1.043500      0.1233000    
 C   -1.019500       1.345500      0.1756000    
 C  -0.2079000      -1.256900     -0.4657000    
 C   -4.029300       1.165900      -1.213700    
 C   -4.077400      0.5445000       1.207000    
 C   -2.979600      -2.771400      0.5679000    
 C    2.196100     -0.5891000     -0.2543000    
 C   -3.786400       2.644000      -1.439400    
 C   -4.619000       1.874100       1.689800    
 C    3.151900      0.5182000      4.0199999E-02
 C   -4.024300      -3.835800      0.2723000    
 C    2.647000       1.723500      0.3344000    
 C    4.605800      0.3576000      2.4000000E-02
 C    6.304100      -1.234800      0.4023000    
 H   -3.453600      -1.603000      -1.197100    
 H   -2.144100      -2.717300      -1.423300    
 H   -1.337700       2.354200      0.4308000    
 H   0.1023000      -2.269000     -0.7127000    
 H   -3.705800      0.6074000      -2.100600    
 H   -5.107800      0.9882000      -1.123100    
 H   -4.904900     -0.1608000       1.067300    
 H   -3.436600      0.1295000       1.994800    
 H   -2.099300      -3.253000       1.011700    
 H   -3.374800      -2.093100       1.328400    
 H    1.031400       2.962400      0.6186000    
 H   -4.063300       3.257600     -0.5793000    
 H   -2.734400       2.845000      -1.665500    
 H   -4.373700       2.990300      -2.296500    
 H   -3.825200       2.623500       1.774500    
 H   -5.395200       2.262800       1.023600    
 H   -5.074100       1.754700       2.678700    
 H   -4.936000      -3.386400     -0.1343000    
 H   -3.647200      -4.565100     -0.4517000    
 H   -4.289300      -4.372400       1.188700    
 H    3.266300       2.583200      0.5647000    
 H    6.816800     -0.6110000       1.140700    
 H    6.744200      -1.099900     -0.5903000    
 H    6.409600      -2.283200      0.6938000    


%chk=000028414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000028414

0 1
O 2.298367 -1.779257 -0.474742
O 4.914116 -0.969058 -0.008883
O 5.244901 1.118522 0.954479
N -3.566845 0.886507 0.551854
N 1.192389 1.875056 1.193074
C -2.214500 0.488932 0.413536
C -1.836822 -0.813662 -0.112115
C -2.882121 -1.882879 -0.425597
C 0.568143 -0.242435 0.186367
C 0.178247 0.998592 0.755837
C -1.181133 1.362138 0.854969
C -0.469305 -1.116239 -0.224955
C -4.563232 0.699411 -0.539855
C -3.936595 1.903362 1.565039
C -2.355983 -3.330823 -0.558898
C 1.998657 -0.652654 0.041293
C -4.094599 1.219379 -1.917523
C -4.005525 3.370034 1.065790
C 2.973445 0.353648 0.538233
C -3.508134 -4.338349 -0.758701
C 2.519058 1.554726 1.080713
C 4.456118 0.226345 0.523017
C 6.387505 -1.122422 -0.034809
H -3.648279 -1.859006 0.377054
H -3.419871 -1.637350 -1.365822
H -1.433520 2.354433 1.241956
H -0.142723 -2.086179 -0.610898
H -4.861184 -0.359464 -0.628868
H -5.471751 1.248640 -0.232395
H -4.931423 1.624699 1.966888
H -3.229197 1.820361 2.409147
H -1.658954 -3.404434 -1.416095
H -1.773058 -3.601817 0.342733
H 0.924996 2.770578 1.604124
H -3.867585 2.299619 -1.882510
H -3.183345 0.692848 -2.251760
H -4.883231 1.053147 -2.674854
H -3.038887 3.716762 0.660096
H -4.763014 3.485542 0.269727
H -4.292236 4.038873 1.898696
H -4.204779 -4.325788 0.101074
H -4.092706 -4.102558 -1.668680
H -3.122509 -5.368394 -0.865056
H 3.248829 2.287343 1.439398
H 6.799465 -1.068754 0.987392
H 6.847254 -0.328961 -0.648476
H 6.549157 -2.114416 -0.478897


