%chk=000120997.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000120997

0 1
 O   0.1689000       2.374100     -0.1203000    
 N   0.4522000      -1.092200     -0.2005000    
 N  -0.3686000      5.3700000E-02 -0.2285000    
 C    1.746700     -0.6445000      1.2800000E-02
 C    1.836500      0.6900000      4.8500001E-02
 C    2.940300      -1.535900      0.1199000    
 C    3.075800       1.486200      0.1971000    
 C    4.172900     -0.7719000      0.6332000    
 C    4.316400      0.6075000     -2.4200000E-02
 C   0.4532000       1.187700     -0.1374000    
 C   0.1832000      -2.166100      -1.150000    
 C   -1.772500      1.0800000E-02 -4.2599998E-02
 C   -2.561300       1.125000     -0.3526000    
 C   -2.385600      -1.145800      0.4532000    
 C   -3.943500       1.082900     -0.1694000    
 C   -3.767800      -1.188000      0.6361000    
 C   -4.546800     -7.3600002E-02  0.3248000    
 H    2.732100      -2.372100      0.7969000    
 H    3.161700      -1.959600     -0.8671000    
 H    3.089700       2.318600     -0.5148000    
 H    3.104800       1.915700       1.205200    
 H    4.093500     -0.6428000       1.720500    
 H    5.074300      -1.367900      0.4501000    
 H    4.479200      0.4733000      -1.101600    
 H    5.202600       1.118900      0.3684000    
 H   0.6399000      -3.098800     -0.8021000    
 H   0.6072000      -1.921900      -2.131100    
 H  -0.8809000      -2.361900      -1.299900    
 H   -2.133800       2.033200     -0.7653000    
 H   -1.812100      -2.020700      0.7458000    
 H   -4.551200       1.948300     -0.4172000    
 H   -4.236900      -2.085200       1.029500    
 H   -5.622900     -0.1061000      0.4680000    


%chk=000120997-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000120997

0 1
O 0.048122 2.446414 -0.004620
N 0.449018 -1.103135 -0.192859
N -0.354927 0.087068 -0.272270
C 1.778793 -0.656624 -0.033620
C 1.832530 0.717771 0.080220
C 2.969299 -1.578303 -0.000440
C 3.098900 1.492047 0.331571
C 4.183699 -0.818631 0.604927
C 4.332058 0.606309 0.011030
C 0.480740 1.257268 -0.063924
C 0.140014 -2.159674 -1.188205
C -1.764595 0.014499 -0.072498
C -2.582797 1.068269 -0.557988
C -2.349738 -1.080344 0.617657
C -3.977426 1.012678 -0.355072
C -3.748696 -1.129610 0.795143
C -4.570699 -0.086411 0.309891
H 2.749048 -2.485187 0.595192
H 3.219460 -1.922279 -1.025851
H 3.105689 2.414053 -0.278735
H 3.135710 1.826509 1.388527
H 4.051419 -0.740537 1.701972
H 5.104789 -1.404623 0.428535
H 4.455288 0.529741 -1.088045
H 5.248871 1.081382 0.407243
H 0.784291 -3.028032 -0.976503
H 0.318365 -1.810028 -2.224467
H -0.911336 -2.469927 -1.090179
H -2.118509 1.919000 -1.061380
H -1.706577 -1.858934 1.040940
H -4.603962 1.831743 -0.724968
H -4.193943 -1.976551 1.329315
H -5.655700 -0.125022 0.454862


