%chk=000031097.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000031097

0 1
 O   -2.219500       1.941200     -0.7736000    
 O   -4.160400     -0.5531000      0.8219000    
 N   -2.439800      0.6502000     -0.2164000    
 C  -0.1178000     -3.3900000E-02 -9.9399999E-02
 C   0.5213000       1.337500     -3.4299999E-02
 C   0.8713000      -1.042600     -6.4400002E-02
 C    1.993000      0.9890000      4.1999999E-02
 C    2.171100     -0.4127000      2.2700001E-02
 C   -1.464000     -0.3438000     -0.1820000    
 C   0.5143000      -2.379800     -0.1121000    
 C    3.070500       1.853700      0.1220000    
 C    3.441200     -0.9613000      8.4100001E-02
 C   -1.823400      -1.691900     -0.2300000    
 C  -0.8444000      -2.699700     -0.1955000    
 C    4.350600       1.300300      0.1836000    
 C    4.534300     -9.3099996E-02  0.1650000    
 C   -3.735300      0.4751000      0.2951000    
 C   -4.663000       1.664700      0.1712000    
 H   0.2060000       1.876600      0.8637000    
 H   0.3282000       1.909600     -0.9462000    
 H    1.258600      -3.168700     -8.9299999E-02
 H    2.930400       2.928800      0.1368000    
 H    3.598800      -2.034600      7.0699997E-02
 H   -2.850800      -2.019600     -0.3540000    
 H   -1.147500      -3.742300     -0.2476000    
 H    5.217100       1.953300      0.2470000    
 H    5.540900     -0.5000000      0.2141000    
 H   -2.352100       1.741900      -1.716400    
 H   -4.248400       2.522300      0.7080000    
 H   -4.811700       1.916600     -0.8824000    
 H   -5.635000       1.419400      0.6094000    


%chk=000031097-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000031097

0 1
O -2.259407 1.757506 -1.092668
O -4.011004 -0.375082 1.231732
N -2.554189 0.554458 -0.316867
C -0.148415 -0.052177 -0.160487
C 0.484897 1.326356 -0.023096
C 0.863143 -1.060765 -0.133082
C 1.970994 1.009366 0.078184
C 2.176430 -0.401387 0.004746
C -1.505293 -0.428524 -0.262566
C 0.529420 -2.431115 -0.194498
C 3.064168 1.882133 0.218217
C 3.478879 -0.943657 0.072349
C -1.846126 -1.807095 -0.323716
C -0.834710 -2.791798 -0.280917
C 4.372128 1.338671 0.285039
C 4.576066 -0.062476 0.212517
C -3.738399 0.576095 0.444971
C -4.634810 1.788315 0.240767
H 0.103542 1.856066 0.872380
H 0.248563 1.982654 -0.879962
H 1.306346 -3.202458 -0.164887
H 2.914441 2.966445 0.276575
H 3.643374 -2.025849 0.018774
H -2.898087 -2.096829 -0.377658
H -1.119919 -3.848576 -0.319476
H 5.234227 2.006214 0.394619
H 5.594155 -0.464106 0.266734
H -2.388837 1.485983 -2.045112
H -4.100785 2.725371 0.471374
H -4.981907 1.861825 -0.805537
H -5.504388 1.677537 0.905249


