%chk=000044955.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044955

0 1
 O    2.591100      0.7867000      3.4100000E-02
 O    2.594700      -1.526100     -6.4599998E-02
 N   -5.025200     -0.9259000     -6.0699999E-02
 N    4.609700     -0.3657000     -1.5400000E-02
 C   -3.046300      0.5605000      2.8000001E-02
 C   -3.567100     -0.8825000     -3.3399999E-02
 C   -1.556300      0.6199000      2.9600000E-02
 C  -0.8586000      0.5970000       1.237100    
 C  -0.8604000      0.6993000      -1.176700    
 C   -5.540800     -0.1755000      -1.206800    
 C   -5.579300     -0.3947000       1.185500    
 C   0.5353000      0.6534000       1.238300    
 C   0.5334000      0.7556000      -1.175500    
 C    1.193500      0.7312000      3.2000002E-02
 C    3.213900     -0.4638000     -1.9400001E-02
 C    5.427900      -1.569000     -6.6799998E-02
 C    5.334600      0.8998000      3.4899998E-02
 H   -3.403400       1.082100      0.9235000    
 H   -3.392700       1.158900     -0.8222000    
 H   -3.190400      -1.463100      0.8190000    
 H   -3.171500      -1.388500     -0.9241000    
 H   -1.388600      0.5332000       2.183800    
 H   -1.391900      0.7156000      -2.124600    
 H   -5.046100     -0.4788000      -2.136600    
 H   -5.465900      0.9120000      -1.101100    
 H   -6.604600     -0.4073000      -1.337400    
 H   -5.458300      0.6870000       1.302700    
 H   -5.141000     -0.8946000       2.056700    
 H   -6.655200     -0.6031000       1.221800    
 H    1.078900      0.6355000       2.177600    
 H    1.075500      0.8172000      -2.113800    
 H    6.055500      -1.530000     -0.9619000    
 H    4.815300      -2.473300     -0.1014000    
 H    6.061600      -1.602300      0.8241000    
 H    5.962200      0.9777000     -0.8577000    
 H    5.968200      0.9035000      0.9267000    
 H    4.668700       1.763800      7.2999999E-02


%chk=000044955-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000044955

0 1
O 2.661409 0.170352 -0.266496
O 3.325926 -0.931831 1.731344
N -5.238848 -0.577307 -0.387240
N 4.872256 -0.324353 0.077583
C -3.068444 0.660809 0.299324
C -3.765387 -0.558593 -0.410525
C -1.558278 0.555549 0.211727
C -0.807813 -0.104625 1.217127
C -0.854221 1.057771 -0.915281
C -5.887933 0.487323 -1.168628
C -5.838987 -0.783280 0.940423
C 0.593246 -0.268692 1.129040
C 0.541804 0.908588 -1.028698
C 1.259766 0.245268 -0.007408
C 3.604048 -0.412118 0.618291
C 5.998778 -0.875491 0.846829
C 5.194049 0.281311 -1.223234
H -3.389274 0.688532 1.358019
H -3.416701 1.597306 -0.176925
H -3.398122 -1.490641 0.061871
H -3.434469 -0.581627 -1.467514
H -1.325917 -0.497074 2.101131
H -1.403736 1.579602 -1.708410
H -5.438973 0.531102 -2.177684
H -5.810138 1.506544 -0.712754
H -6.963506 0.257357 -1.284181
H -5.756079 0.097285 1.626212
H -5.355191 -1.645437 1.434474
H -6.914453 -1.015208 0.827770
H 1.155890 -0.771942 1.915489
H 1.087269 1.300449 -1.892768
H 6.503393 -1.677310 0.273986
H 5.617421 -1.290931 1.790984
H 6.738580 -0.082769 1.070161
H 5.663696 -0.468819 -1.889216
H 5.905084 1.119864 -1.088840
H 4.280253 0.658735 -1.697682


