%chk=000040140.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040140

0 1
 O  -0.4075000       1.728800      0.7729000    
 N    3.661000     -0.2909000     -7.6099999E-02
 N   0.4194000       1.073000      -1.295800    
 C    2.236900     -0.2970000     -0.4094000    
 C    1.811100       1.065800     -0.9355000    
 C    3.944900      0.7265000      0.9353000    
 C    4.081300      -1.610300      0.3940000    
 C    5.430100      0.7888000       1.249500    
 C    3.793600      -2.680800     -0.6451000    
 C  -0.5898000       1.408800     -0.3990000    
 C   -1.960600       1.338600      -1.044100    
 C   -2.886300      0.3584000     -0.3734000    
 C   -2.915200     -0.9599000     -0.8062000    
 C   -3.697700      0.7872000      0.6675000    
 C   -3.773000      -1.867900     -0.1852000    
 C   -4.555300     -0.1207000       1.288600    
 C   -4.593000      -1.448300      0.8620000    
 H    2.014000      -1.014500      -1.206600    
 H    1.623700     -0.5779000      0.4575000    
 H    1.930500       1.867900     -0.2042000    
 H    2.378600       1.332700      -1.834100    
 H    3.710500       1.729700      0.5713000    
 H    3.374000      0.5632000       1.857900    
 H    5.164400      -1.635800      0.5524000    
 H    3.601100      -1.880500       1.342900    
 H   0.1808000      0.8074000      -2.246400    
 H    5.763700     -5.3700000E-02   1.863000    
 H    6.037300      0.8288000      0.3385000    
 H    5.646400       1.696300       1.824900    
 H    2.732900      -2.946300     -0.6914000    
 H    4.133100      -2.382800      -1.643100    
 H    4.330300      -3.599300     -0.3811000    
 H   -2.389700       2.348400      -1.006200    
 H   -1.888700       1.098800      -2.112100    
 H   -2.278700      -1.296800      -1.619600    
 H   -3.674900       1.818400       1.008500    
 H   -3.801800      -2.901800     -0.5169000    
 H   -5.193500      0.2057000       2.104500    
 H   -5.260600      -2.155200       1.345800    


%chk=000040140-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040140

0 1
O -0.136795 2.335866 0.034689
N 3.398174 -0.417512 0.255882
N 0.298348 0.752906 -1.613883
C 1.985981 -0.457231 -0.192021
C 1.725149 0.626469 -1.270318
C 3.624756 0.594469 1.326407
C 3.962971 -1.753089 0.581978
C 5.062122 1.148500 1.333464
C 4.276800 -2.592250 -0.671726
C -0.548028 1.588144 -0.906792
C -2.030167 1.529103 -1.318743
C -2.804199 0.491909 -0.504413
C -3.502062 -0.562339 -1.144994
C -2.834632 0.572634 0.912728
C -4.219845 -1.518285 -0.388516
C -3.549208 -0.381985 1.668586
C -4.245541 -1.430894 1.021657
H 1.766908 -1.453801 -0.618164
H 1.270353 -0.299632 0.648841
H 2.057202 1.607082 -0.889574
H 2.308360 0.394644 -2.178590
H 2.920286 1.429739 1.157917
H 3.374015 0.176251 2.333775
H 4.903757 -1.590521 1.139040
H 3.287850 -2.329371 1.264722
H -0.098687 0.130817 -2.319542
H 5.810034 0.354711 1.513789
H 5.293065 1.617084 0.360924
H 5.179483 1.906879 2.130106
H 3.368893 -2.792455 -1.269957
H 4.996883 -2.056956 -1.314871
H 4.710795 -3.569088 -0.386784
H -2.439725 2.538516 -1.136374
H -2.131378 1.314808 -2.398876
H -3.494460 -0.631538 -2.240459
H -2.288325 1.380952 1.412815
H -4.758186 -2.325099 -0.898984
H -3.565385 -0.307588 2.761942
H -4.802262 -2.169049 1.609820


