%chk=000100336.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100336

0 1
 O    1.322000       1.749500     -1.0100000E-02
 O    3.490100       2.505800     -4.4500001E-02
 N   -3.296600      0.2079000     -5.2099999E-02
 C   -1.925100     -6.3900001E-02 -3.8300000E-02
 C  -0.9759000      0.9832000      5.7000001E-03
 C   -1.452000      -1.399000     -3.1500001E-02
 C   -3.748600       1.576000     -0.2854000    
 C   -4.238500     -0.8777000     -0.3087000    
 C   -1.425200       2.425100      1.4300000E-02
 C   -2.417600      -2.559800     -6.7400001E-02
 C   -2.871800       2.559100      0.4740000    
 C   0.8597000     -0.6438000     -2.8899999E-02
 C   -3.801700      -2.143700      0.4134000    
 C   0.3941000      0.6710000     -8.6000003E-03
 C    2.293300     -0.8556000     -4.0700000E-02
 C  -7.3200002E-02  -1.677300     -3.9900001E-02
 C    3.003900      -2.165700     -5.7200000E-02
 C    3.145000      0.1711000     -4.7800001E-02
 C    4.447400      -1.759000      0.2631000    
 C    4.566000     -0.2696000     -7.4299999E-02
 C    2.704500       1.566600     -3.5100002E-02
 H   -3.728200       1.793200      -1.360600    
 H   -4.785600       1.692200      5.0299998E-02
 H   -5.239100     -0.5973000      4.0500000E-02
 H   -4.309000      -1.056800      -1.388800    
 H  -0.7937000       3.020300      0.6839000    
 H   -1.317500       2.828200      -1.000100    
 H   -2.475700      -2.931400      -1.097800    
 H   -2.052400      -3.377100      0.5655000    
 H   -2.938700       2.357100       1.551000    
 H   -3.221300       3.585000      0.3134000    
 H   -3.780400      -1.962600       1.496100    
 H   -4.518700      -2.952100      0.2328000    
 H   0.2551000      -2.714400     -5.8699999E-02
 H    2.628200      -2.865600      0.6954000    
 H    2.935100      -2.631100      -1.046300    
 H    4.643400      -1.910600       1.332900    
 H    5.175900      -2.364200     -0.2862000    
 H    5.183500      0.2518000      0.6632000    
 H    4.995800     -0.1218000      -1.070700    


%chk=000100336-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100336

0 1
O 1.288839 1.750588 -0.041602
O 3.436270 2.617734 -0.039799
N -3.298417 0.203392 -0.091246
C -1.926882 -0.080649 -0.088456
C -0.973726 0.988973 -0.064972
C -1.468604 -1.452068 -0.102968
C -3.775554 1.590182 -0.264553
C -4.303264 -0.869053 -0.227057
C -1.412306 2.445088 -0.048741
C -2.476443 -2.593416 -0.158116
C -2.857332 2.584613 0.467067
C 0.878312 -0.681458 -0.054006
C -3.829518 -2.168794 0.445949
C 0.396927 0.665625 -0.053924
C 2.302891 -0.875123 -0.026015
C -0.095983 -1.718049 -0.075252
C 3.067743 -2.189437 -0.046908
C 3.186171 0.196501 -0.012354
C 4.523305 -1.769730 0.338551
C 4.635427 -0.252185 -0.018914
C 2.748749 1.574099 -0.033147
H -3.827416 1.854929 -1.345134
H -4.804922 1.647338 0.136795
H -5.241743 -0.515301 0.240766
H -4.527641 -1.066373 -1.300594
H -0.711295 3.033478 0.567774
H -1.335741 2.868114 -1.071318
H -2.637698 -2.905683 -1.211297
H -2.073835 -3.476556 0.371107
H -2.894997 2.378581 1.553270
H -3.226809 3.613975 0.307043
H -3.724278 -1.999813 1.534022
H -4.590626 -2.956517 0.296945
H 0.240663 -2.762062 -0.078330
H 2.647849 -2.944221 0.643230
H 3.027702 -2.628298 -1.065129
H 4.662215 -1.898993 1.427490
H 5.285855 -2.383320 -0.171276
H 5.257069 0.313780 0.696887
H 5.085544 -0.096890 -1.019987


