%chk=000011945.chk
%nprocshared=24
%mem=100GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011945

0 1
 O   -3.768500      0.6192000      1.9999999E-04
 O   -3.214400      -1.504800     -1.9999999E-04
 N    2.494300       1.158200       0.000000    
 N   -2.902700     -0.2892000      9.9999997E-05
 C   0.8129000     -0.5681000       0.000000    
 C    1.199500      0.7885000     -9.9999997E-05
 C  -0.5480000     -0.9181000       0.000000    
 C   -1.529200      6.9200002E-02   0.000000    
 C   0.1977000       1.755100       0.000000    
 C   -1.155500       1.407300     -9.9999997E-05
 C    1.821100      -1.541500       0.000000    
 C    3.156100      -1.163600      9.9999997E-05
 C    3.436700      0.1877000      9.9999997E-05
 H  -0.8146000      -1.973600      9.9999997E-05
 H   0.4648000       2.810400     -9.9999997E-05
 H   -1.887300       2.211100     -9.9999997E-05
 H    1.571900      -2.600200      9.9999997E-05
 H    3.948300      -1.902900      9.9999997E-05
 H    4.462000      0.5427000      1.9999999E-04


%chk=000011945-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000011945

0 1
O -3.821727 0.669347 -0.000318
O -3.272751 -1.544365 -0.000385
N 2.533504 1.190614 -0.000029
N -2.958824 -0.291337 0.000173
C 0.815093 -0.610999 0.000091
C 1.204423 0.787498 0.000026
C -0.570211 -0.952713 0.000135
C -1.519056 0.070761 0.000132
C 0.188479 1.798630 0.000012
C -1.160972 1.454366 0.000061
C 1.857087 -1.596475 0.000105
C 3.187922 -1.178816 0.000052
C 3.475352 0.226088 -0.000016
H -0.899248 -1.996594 0.000185
H 0.514681 2.842477 -0.000042
H -1.953226 2.206765 0.000055
H 1.596827 -2.660937 0.000156
H 4.011696 -1.898554 0.000062
H 4.516054 0.571641 -0.000055


