%chk=000104562.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104562

0 1
 O   0.2914000      -2.349300      0.3049000    
 O   -3.577200      8.1000002E-03 -0.4371000    
 N   0.3920000     -1.3500000E-02  0.3142000    
 N   -1.630700      -1.174700     -6.4199999E-02
 N   0.3777000       2.425300      0.3008000    
 C    1.829700     -1.0900000E-02  0.5863000    
 C    2.662100     -1.5799999E-02 -0.6902000    
 C  -0.2727000       1.215900      0.1830000    
 C  -0.2638000      -1.252900      0.1950000    
 C    4.159200     -3.5200000E-02 -0.4162000    
 C   -1.596000       1.224300     -6.7400001E-02
 C   -2.371800     -2.1199999E-02 -0.2089000    
 H    2.069300     -0.9188000       1.155100    
 H    2.101300      0.8156000       1.251700    
 H    2.400400     -0.8885000      -1.300800    
 H    2.424200      0.8673000      -1.295000    
 H    4.441200     -0.9284000      0.1502000    
 H    4.717500     -3.7900001E-02  -1.357400    
 H    4.462200      0.8464000      0.1576000    
 H   -2.148900       2.152700     -0.1761000    
 H   -2.129100      -2.055600     -0.1549000    
 H    1.384300       2.466800      0.3727000    
 H  -0.1434000       3.286900      0.1900000    


%chk=000104562-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000104562

0 1
O 0.328829 -2.343243 0.333338
O -3.704039 -0.087115 -0.364126
N 0.377810 0.008786 0.307213
N -1.661760 -1.166789 -0.010654
N 0.425574 2.388824 0.230682
C 1.839279 -0.049267 0.568297
C 2.699541 0.050452 -0.714148
C -0.313806 1.221759 0.140686
C -0.293071 -1.248427 0.215364
C 4.205479 -0.018258 -0.383460
C -1.688040 1.241201 -0.084383
C -2.456173 0.023473 -0.167485
H 2.023706 -1.027111 1.043286
H 2.108011 0.733242 1.304039
H 2.422478 -0.787293 -1.379754
H 2.475254 0.983188 -1.268889
H 4.455840 -0.965971 0.127361
H 4.813639 0.037164 -1.303263
H 4.517734 0.813658 0.276470
H -2.217953 2.185037 -0.218658
H -2.160790 -2.058599 -0.075522
H 1.439159 2.394073 0.275535
H -0.057802 3.277814 0.141371


