%chk=000084496.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000084496

0 1
 O   -3.450100      -2.779500     -0.3897000    
 N    2.123600      -1.066800      -1.109600    
 N   -2.804500       2.570400      0.8454000    
 C    3.748600      0.6787000     -7.5400002E-02
 C    1.346400      1.5200000E-02 -0.4489000    
 C    4.001600     -0.7286000      0.5164000    
 C    2.280800       1.097700      0.1348000    
 C    3.951900      0.5678000      -1.597600    
 C    2.966200      -1.714300     -7.2400004E-02
 C    3.014800     -0.5151000      -2.154600    
 C   0.2877000      0.6186000      -1.375400    
 C    3.983400     -0.7310000       2.015700    
 C  -0.8184000       1.271600     -0.5959000    
 C    5.027800      -1.076200       2.776300    
 C   -1.959100      0.5686000     -0.1965000    
 C  -0.6687000       2.611200     -0.2795000    
 C   -2.942700       1.267700      0.5341000    
 C   -2.135900     -0.7913000     -0.5034000    
 C   -1.684300       3.210000      0.4379000    
 C   -4.079800      0.5713000      0.9342000    
 C   -3.282900      -1.463100     -9.0700001E-02
 C   -4.256000     -0.7807000      0.6289000    
 C   -4.650600      -3.402400      6.6200003E-02
 H    4.430200       1.424700      0.3483000    
 H   0.8139000     -0.4532000      0.3915000    
 H    4.996900      -1.052700      0.1790000    
 H    2.070200       1.239400       1.200900    
 H    2.138800       2.071000     -0.3461000    
 H    4.994200      0.3140000      -1.824400    
 H    3.741700       1.530700      -2.078400    
 H    3.489700      -2.569400     -0.5204000    
 H    2.322700      -2.151400      0.7026000    
 H    2.423100     -0.1084000      -2.983200    
 H    3.605800      -1.326500      -2.598500    
 H  -0.1156000     -0.1306000      -2.065900    
 H   0.7431000       1.358200      -2.049700    
 H    3.060500     -0.4502000       2.516600    
 H    4.947000      -1.064300       3.857700    
 H    5.974900      -1.374100       2.340600    
 H   0.1923000       3.193000     -0.5861000    
 H   -1.394200      -1.367700      -1.047800    
 H   -1.628100       4.258200      0.7126000    
 H   -4.856100       1.084200       1.499200    
 H   -5.174700      -1.234800      0.9843000    
 H   -4.616700      -4.447100     -0.2598000    
 H   -5.536800      -2.952000     -0.3936000    
 H   -4.709300      -3.409900       1.159900    


%chk=000084496-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000084496

0 1
O -3.221080 -2.812286 -0.036675
N 2.218783 -0.942223 -1.377847
N -2.915321 2.779490 0.592929
C 3.676554 0.626169 0.095923
C 1.319844 -0.011102 -0.610443
C 3.949224 -0.862111 0.505073
C 2.173834 0.987437 0.253809
C 4.064392 0.795596 -1.398514
C 2.998220 -1.756350 -0.399676
C 3.175134 -0.185923 -2.246498
C 0.315412 0.690957 -1.569972
C 3.743615 -1.128259 1.977645
C -0.816881 1.388967 -0.840638
C 4.700877 -1.552442 2.841290
C -1.930608 0.649415 -0.280746
C -0.817034 2.778532 -0.670212
C -2.953560 1.398243 0.429574
C -2.075257 -0.764837 -0.406085
C -1.871420 3.428944 0.046278
C -4.065485 0.696498 0.988320
C -3.181229 -1.421914 0.151875
C -4.188385 -0.687883 0.860269
C -4.360101 -3.549608 0.516988
H 4.290140 1.294940 0.726403
H 0.734337 -0.665493 0.063373
H 5.006822 -1.083994 0.257015
H 1.866374 0.956859 1.314657
H 2.021831 2.030756 -0.084880
H 5.140857 0.578993 -1.538145
H 3.898969 1.846330 -1.705573
H 3.592967 -2.498617 -0.962048
H 2.280239 -2.315467 0.227942
H 2.600638 0.353036 -3.019227
H 3.796771 -0.933063 -2.772304
H -0.073858 -0.082315 -2.258761
H 0.855326 1.434673 -2.185422
H 2.719803 -0.977831 2.357709
H 4.481513 -1.740032 3.898532
H 5.734157 -1.726047 2.513587
H -0.007197 3.384689 -1.091673
H -1.338680 -1.365698 -0.947481
H -1.856510 4.518067 0.174939
H -4.818236 1.289738 1.516378
H -5.052176 -1.198546 1.295753
H -4.176168 -4.599783 0.246934
H -5.315670 -3.213051 0.070297
H -4.408476 -3.452554 1.618929


