%chk=000118307.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000118307

0 1
 O   0.1770000      -1.513500     -0.9933000    
 N    2.482100      -1.319000      0.3723000    
 N    3.489600       1.343800     -0.2131000    
 N  -0.7687000      0.1926000      0.3225000    
 C    1.589600     -0.1482000      0.3396000    
 C    2.128100      0.9505000     -0.5918000    
 C    3.852600     -0.9063000      0.7162000    
 C    4.373700      0.1743000     -0.2344000    
 C   0.2593000     -0.5837000     -0.1974000    
 C    2.027700      -2.335300       1.327700    
 C    3.993300       2.391100      -1.099700    
 C   -2.153200      8.1900001E-02  5.1300000E-02
 C   -3.054000      0.9430000      0.6577000    
 C   -2.578200     -0.9017000     -0.8283000    
 C   -4.414600      0.8176000      0.3775000    
 C   -2.608600       2.007200       1.607600    
 C   -3.938800      -1.026900      -1.108600    
 C   -4.857000     -0.1673000     -0.5057000    
 H    1.479600      0.2581000       1.355100    
 H    2.098900      0.6121000      -1.637800    
 H    1.466500       1.824400     -0.5277000    
 H    4.524300      -1.771100      0.6503000    
 H    3.899600     -0.5363000       1.749800    
 H    5.380300      0.4633000      9.1700003E-02
 H    4.464000     -0.2349000      -1.249800    
 H    1.047700      -2.744100       1.063600    
 H    1.968800      -1.941000       2.348900    
 H    2.716900      -3.187800       1.331700    
 H    3.351400       3.277600      -1.050800    
 H    4.047000       2.061500      -2.143600    
 H    4.993800       2.710300     -0.7873000    
 H  -0.5042000      0.9309000      0.9688000    
 H   -1.936800      -1.606200      -1.335800    
 H   -5.144000       1.478600      0.8381000    
 H   -1.931800       2.709300       1.109600    
 H   -3.454100       2.590300       1.989200    
 H   -2.105800       1.564500       2.473900    
 H   -4.285000      -1.793500      -1.795900    
 H   -5.916400     -0.2650000     -0.7240000    


%chk=000118307-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000118307

0 1
O 0.166117 -0.942948 -1.604808
N 2.375486 -1.003737 0.557273
N 3.748539 1.310869 -0.508808
N -0.835841 0.199529 0.194243
C 1.616727 0.168091 0.052034
C 2.436556 0.888053 -1.044818
C 3.701854 -0.585693 1.072597
C 4.506945 0.137371 -0.016886
C 0.257127 -0.262734 -0.542350
C 1.624251 -1.815307 1.533667
C 4.515175 2.123007 -1.472942
C -2.229650 0.019090 -0.045241
C -3.139858 0.585648 0.904285
C -2.715823 -0.692178 -1.174187
C -4.525924 0.418075 0.685375
C -2.638099 1.347830 2.120646
C -4.106285 -0.840295 -1.360834
C -5.018979 -0.287828 -0.435729
H 1.441778 0.908117 0.883247
H 2.528596 0.187500 -1.908808
H 1.884726 1.785136 -1.383325
H 4.248209 -1.491022 1.396309
H 3.603186 0.095782 1.956459
H 5.467445 0.486282 0.406881
H 4.731197 -0.585163 -0.841699
H 0.703157 -2.208588 1.071000
H 1.341366 -1.250523 2.460132
H 2.242644 -2.678061 1.837942
H 3.928448 3.014872 -1.757716
H 4.778400 1.569530 -2.409291
H 5.454080 2.467492 -1.003126
H -0.594233 0.730532 1.033863
H -2.000727 -1.115705 -1.881539
H -5.229044 0.849022 1.408254
H -2.046192 2.242930 1.840821
H -3.484061 1.702052 2.732234
H -2.006095 0.717531 2.779171
H -4.472276 -1.390432 -2.234729
H -6.098321 -0.403028 -0.581496


