%chk=000094726.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000094726

0 1
 O   -2.969600      -1.417400      3.5000001E-03
 O    3.752000       1.283600      6.0000003E-04
 O    3.922100     -0.9050000     -3.0000000E-03
 N    3.230600      0.1421000     -1.4000000E-03
 C  -0.9663000     -0.1855000      2.2000000E-03
 C   -3.286100      0.9710000      5.2000000E-03
 C   -2.416100     -0.2987000      3.3000000E-03
 C  -0.3650000       1.073300      2.9000000E-03
 C  -0.1767000      -1.335400      9.9999997E-05
 C    1.815100      3.2200001E-02 -1.2000001E-03
 C    1.025500       1.182100      1.0000000E-03
 C    1.213900      -1.226500     -1.5000000E-03
 C   -4.779400      0.6844000     -1.1600000E-02
 H   -3.054200       1.549600      0.9060000    
 H   -3.039600       1.562900     -0.8830000    
 H  -0.9389000       1.994500      5.4000001E-03
 H  -0.6211000      -2.327200     -3.9999999E-04
 H    1.459700       2.178700      1.8000000E-03
 H    1.797300      -2.143800     -2.9000000E-03
 H   -5.076700      0.1025000      0.8669000    
 H   -5.347500       1.619700     -1.1600000E-02
 H   -5.058900      0.1130000     -0.9029000    


%chk=000094726-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000094726

0 1
O -2.990183 -1.451194 -0.004972
O 3.844910 1.298957 0.007590
O 3.988620 -0.977488 0.002458
N 3.313779 0.122324 0.003250
C -0.970663 -0.145326 -0.001843
C -3.343833 0.962185 -0.002205
C -2.475880 -0.296802 -0.003694
C -0.330953 1.123815 0.001515
C -0.177200 -1.324921 -0.003525
C 1.830369 0.027917 0.001432
C 1.073487 1.218981 0.003211
C 1.225890 -1.249137 -0.001935
C -4.851474 0.660124 -0.004589
H -3.071835 1.573585 0.883150
H -3.069727 1.577330 -0.884252
H -0.923086 2.043545 0.002858
H -0.691861 -2.290838 -0.006068
H 1.589049 2.182601 0.005868
H 1.854890 -2.142852 -0.003224
H -5.136524 0.067509 0.881005
H -5.433163 1.598488 -0.003272
H -5.134511 0.071297 -0.893359


