%chk=000002421.chk
%nprocshared=4
%mem=4GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000002421

0 1
 O    4.275400      -2.258200      0.6492000    
 O   -4.276800      -2.257200     -0.6458000    
 O    3.515300      -1.167500      -1.236100    
 O   -3.517100      -1.165600       1.239300    
 O    4.769100       1.963500     -0.1310000    
 O   -4.754700       1.976800      0.1533000    
 N    2.797500       1.037400      0.2313000    
 N   -2.829300       1.012800     -0.2463000    
 N    3.548500       2.060800     -0.2938000    
 N   -3.531900       2.064300      0.3048000    
 C    1.392200       1.031300      0.1121000    
 C   -1.387400       1.019100     -0.1239000    
 C   0.6920000       2.236200      5.3599998E-02
 C  -0.6978000       2.230200     -6.4300001E-02
 C   0.7026000     -0.1799000      5.2499998E-02
 C  -0.6871000     -0.1859000     -6.5399997E-02
 C    3.399200     -0.1123000      0.9486000    
 C   -3.411000     -0.1068000     -0.9442000    
 C    3.720200      -1.210900     -3.0600000E-02
 C   -3.724600      -1.208300      3.4200002E-02
 C    4.638200      -3.388900     -0.1498000    
 C   -4.632500      -3.390700      0.1523000    
 H    1.198400       3.196400      0.1069000    
 H   -1.211100       3.186400     -0.1192000    
 H    1.189000      -1.147700      8.8399999E-02
 H   -1.170300      -1.155500     -0.1041000    
 H    2.735800     -0.4894000       1.736400    
 H    4.330800      0.1911000       1.441700    
 H   -2.755400     -0.4891000      -1.736300    
 H   -4.348400      0.1843000      -1.434400    
 H    5.065800      -4.148500      0.5102000    
 H    5.390900      -3.103100     -0.8907000    
 H    3.752800      -3.806500     -0.6386000    
 H   -5.058200      -4.151200     -0.5076000    
 H   -5.384800      -3.109400      0.8955000    
 H   -3.744100      -3.804900      0.6385000    


%chk=000002421-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000002421

0 1
O 5.259980 -1.874945 0.566797
O -5.258037 -1.879304 -0.565954
O 3.620782 -1.645054 -1.076915
O -3.622606 -1.639834 1.080177
O 4.782627 1.899225 -0.038677
O -4.784209 1.901202 0.034820
N 2.827678 0.832478 0.302969
N -2.829646 0.833079 -0.305903
N 3.513510 1.954690 -0.204203
N -3.515179 1.956533 0.199962
C 1.405460 0.828342 0.150016
C -1.407527 0.828678 -0.153137
C 0.696203 2.057240 0.078214
C -0.697828 2.057409 -0.082228
C 0.699452 -0.396203 0.064260
C -0.701811 -0.396005 -0.066699
C 3.573418 -0.241328 0.976279
C -3.576053 -0.241590 -0.976910
C 4.123828 -1.303058 0.014225
C -4.124671 -1.302432 -0.012808
C 5.898114 -2.953528 -0.232876
C -5.894123 -2.958024 0.235165
H 1.244280 3.000262 0.140498
H -1.245576 3.000572 -0.145189
H 1.238308 -1.347763 0.067220
H -1.240854 -1.347457 -0.069279
H 2.909593 -0.729804 1.709382
H 4.426067 0.212772 1.509622
H -2.913575 -0.730651 -1.710834
H -4.429765 0.211808 -1.509197
H 6.758910 -3.273645 0.369258
H 6.218834 -2.554573 -1.209032
H 5.187527 -3.782094 -0.390153
H -6.748265 -3.287701 -0.371270
H -6.224863 -2.555710 1.206599
H -5.178781 -3.780488 0.402502


