%chk=000168045.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168045

0 1
 O    1.607700     -0.9185000     -0.9780000    
 O   0.5366000       1.504900      0.8212000    
 O    3.804500       1.193100     -0.6922000    
 O    1.927600      -2.792400       1.075200    
 O   -3.922600      0.3349000       1.235000    
 N  -0.4582000      0.2385000     -0.7382000    
 N   -1.714200      0.9774000       1.141300    
 C    1.477700       1.364900     -0.2663000    
 C   0.8982000      0.3068000      -1.202700    
 C    2.781700      0.7709000      0.2082000    
 C    2.585500     -0.7325000      5.9700001E-02
 C  -0.6297000      0.9055000      0.4395000    
 C    2.083500      -1.407500       1.329600    
 C   -1.516600     -0.4418000      -1.264700    
 C   -2.710400     -0.4507000     -0.6508000    
 C   -2.840400      0.3180000      0.6531000    
 C   -3.910900      -1.171600      -1.169800    
 H    1.581800       2.341900     -0.7507000    
 H   0.9844000      0.5816000      -2.258900    
 H    3.064700       1.074600       1.220600    
 H    3.498300      -1.235600     -0.2796000    
 H    1.114200      -1.022500       1.656200    
 H    2.800400      -1.286500       2.147100    
 H   -1.316400     -0.9624000      -2.192900    
 H    4.636600      0.7839000     -0.3991000    
 H    1.289900      -2.886600      0.3469000    
 H   -4.251200      -1.919000     -0.4458000    
 H   -3.697700      -1.691100      -2.110000    
 H   -4.728900     -0.4683000      -1.355500    


%chk=000168045-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168045

0 1
O 1.708870 -0.878029 -1.111592
O 0.555593 1.662788 0.755063
O 3.912431 1.286257 -0.598498
O 1.720129 -2.850721 1.011581
O -3.938958 0.292972 1.314385
N -0.436066 0.282394 -0.778350
N -1.713472 1.036934 1.127588
C 1.561147 1.428417 -0.321209
C 0.939168 0.361614 -1.278378
C 2.833393 0.775547 0.253332
C 2.602212 -0.745333 0.089242
C -0.628016 0.986596 0.415135
C 1.958949 -1.439287 1.304027
C -1.507966 -0.465435 -1.285493
C -2.708340 -0.479235 -0.614781
C -2.857843 0.291117 0.664293
C -3.907184 -1.251932 -1.099921
H 1.792557 2.391677 -0.797324
H 0.967045 0.604977 -2.351555
H 2.977077 1.067588 1.311910
H 3.522800 -1.288922 -0.188900
H 1.027533 -0.924495 1.617422
H 2.660626 -1.432574 2.156099
H -1.322699 -1.015401 -2.211515
H 4.769122 0.854329 -0.355989
H 1.181486 -2.902387 0.179586
H -4.231696 -1.975857 -0.330878
H -3.698188 -1.792039 -2.039578
H -4.763609 -0.571660 -1.257300


