%chk=000117226.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117226

0 1
 O   0.6973000     -0.6350000      1.0200000E-02
 O  -0.6920000       2.528800     -0.2041000    
 O    2.126800      -1.229700      -1.686300    
 O  -0.5697000       3.886500       1.650900    
 N    2.749100      -1.397000      0.5423000    
 N   0.1672000       4.604200     -0.4054000    
 C   -1.586500      0.2232000     -0.2523000    
 C   -2.112500     -0.8825000      0.7154000    
 C   -2.620400      0.5969000      -1.357700    
 C  -0.2956000     -0.2881000     -0.9484000    
 C   -1.272200       1.496100      0.5849000    
 C   -2.518500      -2.208500      5.6400001E-02
 C   -3.959000       1.136000     -0.8653000    
 C   -3.071400      -3.230400       1.055700    
 C   -3.543900      -4.522800      0.4079000    
 C    1.884900      -1.101000     -0.4906000    
 C  -0.3834000       3.687000      0.4553000    
 C    4.085700      -1.910000      0.3477000    
 C    5.056900     -0.8220000      0.2374000    
 C    5.857200      6.8300001E-02  0.1460000    
 H   -1.351700      -1.094200       1.478400    
 H   -2.975100     -0.4925000       1.270700    
 H   -2.812600     -0.2753000      -1.994000    
 H   -2.181700       1.349000      -2.026800    
 H   0.1080000      0.4950000      -1.603200    
 H  -0.5129000      -1.156900      -1.580500    
 H   -2.176700       1.872600       1.076500    
 H  -0.5621000       1.236400       1.381300    
 H   -1.658600      -2.657700     -0.4514000    
 H   -3.285000      -2.026800     -0.7042000    
 H   -4.465000      0.4263000     -0.2055000    
 H   -3.848700       2.088900     -0.3411000    
 H   -4.619100       1.314400      -1.721100    
 H   -2.299100      -3.465600       1.797700    
 H   -3.911800      -2.785300       1.602000    
 H   -2.722300      -5.016700     -0.1203000    
 H   -3.925000      -5.212200       1.167600    
 H   -4.346600      -4.328500     -0.3103000    
 H    2.430800      -1.232600       1.492700    
 H   0.3014000       4.391900      -1.388300    
 H   0.4568000       5.522200     -8.5100003E-02
 H    4.316500      -2.547800       1.206600    
 H    4.102800      -2.532000     -0.5533000    
 H    6.566900      0.8581000      6.4900003E-02


%chk=000117226-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117226

0 1
O 0.675642 -0.717531 -0.134293
O -0.695135 2.465875 -0.351658
O 2.162807 -0.963397 -1.950771
O -0.330572 3.859871 1.515690
N 2.820865 -1.339777 0.275096
N 0.208262 4.527654 -0.671600
C -1.610224 0.186403 -0.283285
C -2.115064 -0.899585 0.721231
C -2.696145 0.580632 -1.337842
C -0.393320 -0.319699 -1.089920
C -1.192690 1.407890 0.565248
C -2.659075 -2.204055 0.095691
C -4.037669 1.079905 -0.759204
C -3.113461 -3.218656 1.171096
C -3.664825 -4.528473 0.568335
C 1.921473 -1.002523 -0.716285
C -0.270467 3.650409 0.278762
C 4.223361 -1.645836 -0.042334
C 5.183042 -0.761992 0.651988
C 5.992085 -0.046918 1.246331
H -1.278683 -1.156008 1.400974
H -2.907978 -0.453894 1.355855
H -2.889350 -0.294922 -1.988892
H -2.272517 1.368594 -1.989608
H 0.000688 0.472678 -1.748939
H -0.653406 -1.196973 -1.709139
H -2.043177 1.810083 1.143661
H -0.384149 1.141657 1.268061
H -1.882079 -2.680121 -0.535694
H -3.516265 -1.981730 -0.571444
H -4.524830 0.317101 -0.124972
H -3.909234 1.994951 -0.153298
H -4.736754 1.325872 -1.579220
H -2.257462 -3.448334 1.838106
H -3.887968 -2.748591 1.811340
H -2.902053 -5.028174 -0.058224
H -3.971717 -5.239259 1.357475
H -4.546587 -4.332414 -0.070581
H 2.515444 -1.291757 1.247285
H 0.239775 4.262367 -1.652743
H 0.554917 5.432209 -0.366255
H 4.454292 -2.700183 0.208562
H 4.325338 -1.539657 -1.138284
H 6.694064 0.587007 1.757001


