%chk=000056458.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056458

0 1
 O    3.914500       1.014500     -0.1530000    
 O   -1.562800      -2.053500      0.2598000    
 N  -0.5716000      2.6600000E-02  3.5100002E-02
 N   0.6776000     -0.4930000      9.0499997E-02
 N   -5.516800      0.9821000     -0.1232000    
 C    5.135800      0.4224000     -8.9000002E-02
 C    3.043400      1.2100000E-02 -6.3999998E-03
 C    5.005800     -0.9345000      9.5700003E-02
 C    3.615200      -1.192600      0.1487000    
 C   -2.990900     -0.2040000      4.0500000E-02
 C    6.297800       1.312300     -0.2228000    
 C    1.618300      0.3852000     -3.9099999E-02
 C   -1.677600     -0.8213000      0.1270000    
 C   -4.076100     -0.9349000     -0.4303000    
 C   -3.167100       1.119300      0.4294000    
 C   -5.306800     -0.3014000     -0.4920000    
 C   -4.438600       1.660800      0.3291000    
 H    5.810800      -1.650400      0.1820000    
 H    3.131100      -2.149000      0.2840000    
 H    7.235100      0.7506000     -0.1611000    
 H    6.276200       1.830800      -1.186300    
 H    6.300100       2.063900      0.5727000    
 H    1.405000       1.461200     -0.1811000    
 H   -3.981500      -1.968000     -0.7474000    
 H   -2.368100       1.733200      0.8292000    
 H  -0.6513000       1.026300     -0.1211000    
 H   -6.184700     -0.8273000     -0.8530000    
 H   -4.630600       2.686700      0.6259000    


%chk=000056458-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056458

0 1
O 3.998667 1.024756 -0.179490
O -1.601386 -2.119714 0.127437
N -0.607893 0.006854 -0.020418
N 0.685422 -0.479935 0.059437
N -5.662747 0.979704 -0.069733
C 5.269718 0.421757 -0.076348
C 3.036039 -0.007884 -0.015526
C 5.108501 -0.943710 0.144849
C 3.696996 -1.219890 0.184241
C -3.048028 -0.172840 0.018858
C 6.450739 1.323186 -0.217836
C 1.657312 0.403932 -0.089369
C -1.705880 -0.866539 0.056515
C -4.162763 -0.922100 -0.432987
C -3.274614 1.160948 0.447175
C -5.433528 -0.310504 -0.465677
C -4.585889 1.685930 0.384678
H 5.915494 -1.663815 0.264796
H 3.207707 -2.179006 0.337130
H 7.381020 0.740471 -0.122002
H 6.458083 1.828136 -1.201456
H 6.453579 2.110260 0.558746
H 1.485399 1.482911 -0.273444
H -4.020105 -1.962433 -0.739393
H -2.474307 1.782372 0.865222
H -0.779647 1.007704 -0.200508
H -6.312007 -0.861691 -0.818173
H -4.793681 2.709240 0.717077


