%chk=000163852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000163852

0 1
 O   0.6547000      -2.381000      3.0000001E-04
 O    2.849100      -2.232000     -5.0000002E-04
 N   0.9745000       1.787800     -1.9999999E-04
 N    2.760400      0.4677000      6.9999998E-04
 N    1.709800      -1.687100      1.9999999E-04
 C   0.4932000      0.5083000     -1.9999999E-04
 C  -0.9101000      0.1740000     -5.0000002E-04
 C    1.614900     -0.2883000     -9.9999997E-05
 C    2.339600       1.713200      1.9999999E-04
 C   0.2055000       3.010500     -3.9999999E-04
 C   -1.588300      1.2500000E-02   1.207700    
 C   -1.588900      1.1800000E-02  -1.208300    
 C   -2.944900     -0.3116000       1.208300    
 C   -2.945700     -0.3121000      -1.207700    
 C   -3.623600     -0.4738000      6.0000003E-04
 H    2.972900       2.590000      3.9999999E-04
 H   0.8838000       3.867700     -5.0000002E-04
 H  -0.4142000       3.032300     -0.9004000    
 H  -0.4143000       3.032500      0.8994000    
 H   -1.073500      0.1355000       2.157700    
 H   -1.074800      0.1343000      -2.158700    
 H   -3.472900     -0.4376000       2.149000    
 H   -3.474400     -0.4385000      -2.147900    
 H   -4.679900     -0.7262000      1.0000000E-03


%chk=000163852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000163852

0 1
O 0.666103 -2.394370 -0.000022
O 2.952239 -2.309923 -0.001415
N 1.004310 1.793619 -0.000103
N 2.866825 0.493363 -0.000251
N 1.794172 -1.748947 0.000056
C 0.537001 0.472341 0.000003
C -0.909542 0.142270 0.000125
C 1.720678 -0.296329 -0.000046
C 2.403731 1.751429 -0.000291
C 0.167838 3.004752 -0.000068
C -1.610931 -0.002089 1.224576
C -1.610879 -0.003282 -1.224213
C -2.993554 -0.288170 1.223354
C -2.993505 -0.289360 -1.222770
C -3.688604 -0.430531 0.000346
H 3.017621 2.649082 -0.000401
H 0.824294 3.888878 -0.000410
H -0.474872 3.032242 -0.895359
H -0.474370 3.032564 0.895575
H -1.068743 0.086731 2.172572
H -1.068657 0.084647 -2.172273
H -3.524182 -0.409064 2.173879
H -3.524091 -0.411172 -2.173201
H -4.759981 -0.658779 0.000437


