%chk=000029679.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029679

0 1
 O    2.616800       1.674400     -5.1000002E-03
 O   -3.939900      -1.415300     -1.7899999E-02
 O   -4.240600      0.7629000      3.3799998E-02
 N    2.900200     -0.6300000     -5.6699999E-02
 N   -3.492900     -0.2437000      5.2999998E-03
 C    4.190200     -0.6994000     -0.6772000    
 C    4.041300     -0.8355000      0.7858000    
 C    2.153500      0.5374000     -2.4100000E-02
 C   0.6770000      0.3323000     -1.4700000E-02
 C   0.1512000     -0.9593000     -3.7999999E-02
 C  -0.1790000       1.433200      1.6100001E-02
 C   -1.230500      -1.150200     -3.0600000E-02
 C   -1.560700       1.242500      2.3399999E-02
 C   -2.086500     -4.9300000E-02 -9.9999997E-05
 H    4.563800      0.2284000      -1.085400    
 H    4.327800      -1.587300      -1.276600    
 H    4.072500      -1.820000       1.228700    
 H    4.302000     -2.7000001E-03   1.422700    
 H   0.7805000      -1.844400     -6.2600002E-02
 H   0.2078000       2.448600      3.4400001E-02
 H   -1.604500      -2.170800     -4.9800001E-02
 H   -2.196800       2.123700      4.7100000E-02


%chk=000029679-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029679

0 1
O 2.580254 1.709832 -1.160730
O -3.855229 -1.444190 0.628148
O -4.186840 0.810513 0.534286
N 3.043663 -0.490814 -0.529332
N -3.434241 -0.235282 0.458853
C 4.469868 -0.410500 -0.165376
C 3.478637 -1.192971 0.710950
C 2.177206 0.598735 -0.703579
C 0.727048 0.337457 -0.394397
C 0.212783 -0.972794 -0.208522
C -0.142501 1.456023 -0.310515
C -1.153032 -1.167802 0.069708
C -1.508859 1.278399 -0.028961
C -1.991976 -0.035534 0.160853
H 4.833036 0.558811 0.195547
H 5.160768 -0.959359 -0.812449
H 3.475893 -2.287432 0.674963
H 3.191370 -0.752268 1.673228
H 0.877536 -1.835256 -0.309180
H 0.277039 2.452516 -0.479237
H -1.579153 -2.164376 0.210185
H -2.200068 2.121793 0.044057


