%chk=000055224.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055224

0 1
 O    4.684800      0.8156000      0.1279000    
 N   -2.701000      -1.384500      0.2306000    
 N  -0.8146000      7.6200001E-02  6.3000001E-02
 C    5.491700     -0.2803000     -0.3008000    
 C    3.335800      0.6351000      0.1117000    
 C    6.299200      0.1394000      -1.519500    
 C    6.386300     -0.7227000      0.8471000    
 C   0.5713000      0.2625000      7.9400003E-02
 C    2.686000      0.3385000      -1.086300    
 C    2.603400      0.7453000       1.293600    
 C    1.303600      0.1524000      -1.102600    
 C    1.221100      0.5590000       1.277500    
 C   -1.342100      -1.106400      0.2465000    
 C   -3.796300     -0.5106000      5.2099999E-02
 C   -4.969800     -0.9781000     -0.5373000    
 C   -3.701800      0.8168000      0.4664000    
 C  -0.4630000      -2.335000      0.4713000    
 C   -6.051900     -0.1155000     -0.7129000    
 C   -4.783800       1.679300      0.2910000    
 C   -5.958900       1.213100     -0.2987000    
 H    4.872700      -1.143600     -0.5808000    
 H    6.934900     -0.6770000      -1.875700    
 H    5.640500      0.4483000      -2.337400    
 H    6.934800       1.001200      -1.287400    
 H    7.023300      -1.563400      0.5559000    
 H    5.781200      -1.025000       1.708600    
 H    7.024900      0.1010000       1.184800    
 H    3.238500      0.2582000      -2.017800    
 H    3.104400      0.9753000       2.229900    
 H   0.8058000     -7.5800002E-02  -2.041400    
 H   0.6589000      0.6472000       2.203500    
 H   -2.978700      -2.363100      0.2354000    
 H   -5.054700      -2.011000     -0.8650000    
 H   -2.819600       1.207800      0.9626000    
 H   0.1572000      -2.513700     -0.4115000    
 H   -1.069100      -3.228700      0.6468000    
 H   0.1747000      -2.186600       1.346800    
 H   -6.966800     -0.4785000      -1.171800    
 H   -4.715100       2.711800      0.6212000    
 H   -6.802100       1.884200     -0.4335000    


%chk=000055224-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000055224

0 1
O 4.833392 -0.260556 0.589805
N -2.993912 -1.325715 0.534022
N -0.814314 -0.546159 0.075828
C 5.729404 0.019587 -0.565582
C 3.442811 -0.320807 0.383760
C 5.686943 1.516101 -0.925013
C 7.116296 -0.445338 -0.109348
C 0.595565 -0.532481 0.216014
C 2.791898 -0.228266 -0.874360
C 2.666392 -0.498399 1.555758
C 1.386344 -0.322256 -0.945467
C 1.266422 -0.606821 1.474200
C -1.601113 -1.440357 0.626914
C -3.808398 -0.308211 -0.029858
C -5.218812 -0.494060 0.048394
C -3.293869 0.861994 -0.652089
C -1.163056 -2.699633 1.377679
C -6.098140 0.469667 -0.481999
C -4.190094 1.818717 -1.176914
C -5.589762 1.637107 -1.099990
H 5.397432 -0.596620 -1.427515
H 6.338376 1.720248 -1.794782
H 4.664308 1.847972 -1.173254
H 6.045912 2.117627 -0.071272
H 7.859221 -0.281306 -0.910731
H 7.101525 -1.518415 0.146468
H 7.432404 0.119999 0.784881
H 3.358106 -0.078539 -1.798452
H 3.181287 -0.545338 2.520604
H 0.876649 -0.233019 -1.910398
H 0.680847 -0.711733 2.394708
H -3.512670 -2.103494 0.946018
H -5.624513 -1.396180 0.526859
H -2.211999 0.989403 -0.711643
H -0.108043 -2.925102 1.160190
H -1.775458 -3.569886 1.075752
H -1.266200 -2.575664 2.471788
H -7.179932 0.309057 -0.412323
H -3.782777 2.718180 -1.653071
H -6.272769 2.387395 -1.512382


