%chk=000050644.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000050644

0 1
 O   0.4853000      0.9647000      8.5500002E-02
 O    1.358200       1.664300      -1.926400    
 N   -2.010200      4.8000000E-02   1.114200    
 N    6.089100      -1.773900      0.6899000    
 C   -2.535300     -0.5360000     -0.1213000    
 C   -2.813200      -2.038600      5.6299999E-02
 C   -3.783700      0.2543000     -0.5498000    
 C   -4.263000      -2.314100      0.4378000    
 C   -4.713100     -0.5954000      -1.407800    
 C   -5.232200      -1.811700     -0.6362000    
 C   -1.758300       1.471000      0.9460000    
 C  -0.7360000       1.639400     -0.1926000    
 C   -1.211800       2.019500       2.271200    
 C   -3.078100       2.178100      0.6042000    
 C    1.450600       1.059500     -0.8695000    
 C    2.668400      0.3147000     -0.4612000    
 C    3.899000      0.7534000     -0.9057000    
 C    2.532400     -0.7924000      0.3512000    
 C    5.043200      5.4400001E-02 -0.5212000    
 C    3.676700      -1.491300      0.7359000    
 C    4.932000      -1.067900      0.2997000    
 H   -1.784200     -0.5042000     -0.9175000    
 H   -2.138000      -2.480700      0.7994000    
 H   -2.595200      -2.557800     -0.8870000    
 H   -3.525300       1.018900      -1.281100    
 H   -4.463600      0.5001000      0.2654000    
 H   -4.487300      -1.822900       1.392900    
 H   -4.416800      -3.387600      0.5961000    
 H   -4.172500     -0.9412000      -2.298900    
 H   -5.560700     -1.1000000E-03  -1.769700    
 H   -5.444200      -2.616300      -1.350900    
 H   -6.189200      -1.568500     -0.1585000    
 H   -1.150800     -0.4337000       1.378700    
 H  -0.5031000       2.711500     -0.2693000    
 H   -1.115900       1.359200      -1.181100    
 H  -0.9509000       3.080600       2.184800    
 H  -0.3062000       1.488700       2.587900    
 H   -1.948500       1.921200       3.077400    
 H   -3.934800       1.922600       1.237900    
 H   -2.927500       3.203100      0.9983000    
 H   -3.263900       2.505800     -0.4201000    
 H    3.998500       1.627900      -1.541900    
 H    1.565800      -1.150200      0.6934000    
 H    6.016100      0.3950000     -0.8667000    
 H    3.576900      -2.366000       1.373600    
 H    6.999400      -1.468800      0.3721000    
 H    6.008800      -2.588900       1.283200    


%chk=000050644-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000050644

0 1
O 0.390811 1.227850 0.305280
O 1.294042 1.982542 -1.710668
N -2.278706 0.302466 1.075244
N 5.871197 -2.122847 0.433717
C -2.500204 -0.396104 -0.226489
C -2.592198 -1.927065 0.062804
C -3.797886 0.091835 -0.945200
C -4.040983 -2.355368 0.381029
C -4.433852 -1.035359 -1.790767
C -4.941538 -2.190948 -0.880706
C -1.865640 1.742301 1.122874
C -0.787453 2.100457 0.066901
C -1.309071 1.985479 2.549280
C -3.071727 2.692911 0.896931
C 1.392365 1.262989 -0.681215
C 2.530748 0.375620 -0.356628
C 3.611323 0.294989 -1.277386
C 2.591182 -0.396677 0.835498
C 4.716564 -0.528137 -1.023231
C 3.693041 -1.223209 1.101418
C 4.777307 -1.304578 0.174688
H -1.639874 -0.242578 -0.921972
H -1.908766 -2.189655 0.895423
H -2.230620 -2.487257 -0.821664
H -3.578695 0.967485 -1.585837
H -4.518700 0.422266 -0.173077
H -4.416389 -1.720055 1.205780
H -4.071803 -3.401353 0.740922
H -3.681918 -1.417842 -2.510141
H -5.267220 -0.634378 -2.398657
H -4.962763 -3.135276 -1.459200
H -5.983867 -1.989540 -0.565312
H -1.593671 -0.240867 1.620738
H -0.470462 3.156611 0.154285
H -1.147709 1.936889 -0.965281
H -1.037054 3.046920 2.688298
H -0.404659 1.376790 2.731095
H -2.075927 1.718034 3.297604
H -3.887856 2.408462 1.582479
H -2.783025 3.740379 1.104586
H -3.457304 2.645325 -0.135075
H 3.558545 0.894197 -2.192673
H 1.764580 -0.336964 1.549163
H 5.541315 -0.578815 -1.744338
H 3.727013 -1.812396 2.025959
H 6.645371 -2.181573 -0.221740
H 5.919036 -2.677258 1.283861


