%chk=000035783.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000035783

0 1
 O   -1.406900       1.249400     -5.1100001E-02
 O   -2.219000      0.7378000       2.039300    
 N    2.032500      0.9848000     -0.4637000    
 N    4.529800     -0.3213000      0.1808000    
 C   -3.190400     -0.3349000      6.7100003E-02
 C   -2.371100      -1.377600     -0.7494000    
 C    3.242100       1.759700     -0.1614000    
 C    2.388800     -0.3115000      -1.053400    
 C    4.173300      0.9754000      0.7695000    
 C    3.320700      -1.096100     -0.1235000    
 C    1.145300       1.732900      -1.352100    
 C   -4.045100      0.4938000     -0.9346000    
 C   -1.404100      -2.243600      7.0600003E-02
 C   0.3701000       2.783900     -0.5641000    
 C   -4.107400      -1.054700       1.074400    
 C   -2.233700      0.6004000      0.8217000    
 C  -0.4655000       2.150500      0.5401000    
 C  -0.6002000      -3.178600     -0.8362000    
 C   -4.912100       1.584000     -0.3131000    
 C    5.415600      -1.069400       1.070800    
 C   0.3374000      -4.064800     -3.1599998E-02
 H   -3.066100      -2.038900      -1.284400    
 H   -1.791200     -0.8576000      -1.523900    
 H    3.781800       2.021400      -1.081900    
 H    2.988600       2.697500      0.3442000    
 H    1.483600     -0.9060000      -1.211300    
 H    2.868100     -0.1771000      -2.032500    
 H    3.690900      0.8426000       1.747500    
 H    5.080500       1.570400      0.9311000    
 H    3.595900      -2.033600     -0.6221000    
 H    2.783800      -1.361400      0.7974000    
 H   0.4201000       1.057900      -1.825500    
 H    1.698100       2.205700      -2.174000    
 H   -4.700200     -0.1829000      -1.498700    
 H   -3.390200      0.9697000      -1.676100    
 H  -0.7106000      -1.609300      0.6341000    
 H   -1.960100      -2.846500      0.7962000    
 H  -0.2990000       3.300100      -1.264100    
 H    1.032600       3.545700     -0.1413000    
 H   -4.804000      -1.728000      0.5630000    
 H   -4.696000     -0.3467000       1.667400    
 H   -3.534900      -1.646100       1.796400    
 H   -1.015700       2.939600       1.066200    
 H   0.1581000       1.618700       1.267200    
 H  -2.1700000E-02  -2.598500      -1.562400    
 H   -1.285200      -3.815100      -1.408900    
 H   -5.689700       1.164200      0.3308000    
 H   -5.415700       2.150900      -1.103300    
 H   -4.315900       2.289900      0.2725000    
 H    5.715000      -2.016200      0.6078000    
 H    6.336600     -0.5064000       1.258600    
 H    4.944200      -1.291200       2.035100    
 H  -0.2208000      -4.690400      0.6722000    
 H    1.053800      -3.463200      0.5366000    
 H   0.9012000      -4.724100     -0.6988000    


%chk=000035783-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000035783

0 1
O -1.501421 1.267885 -0.068522
O -2.256115 0.734395 2.061589
N 2.117344 0.946124 -0.511301
N 4.615323 -0.316801 0.255613
C -3.309452 -0.345890 0.071818
C -2.480458 -1.384975 -0.759015
C 3.301117 1.752213 -0.122181
C 2.552089 -0.337449 -1.117711
C 4.187058 0.966671 0.858955
C 3.436761 -1.123558 -0.136458
C 1.159982 1.683790 -1.370981
C -4.162981 0.502904 -0.932451
C -1.426743 -2.193744 0.029988
C 0.349254 2.747650 -0.597042
C -4.216089 -1.057359 1.103622
C -2.335719 0.582249 0.820292
C -0.468134 2.154776 0.549455
C -0.674196 -3.209928 -0.860982
C -4.994501 1.641434 -0.304633
C 5.548495 -1.063175 1.120021
C 0.404748 -3.998420 -0.088119
H -3.203371 -2.084000 -1.229045
H -1.971297 -0.844854 -1.581389
H 3.912328 2.031890 -1.017976
H 2.965999 2.685534 0.365737
H 1.653401 -0.934673 -1.361918
H 3.128379 -0.171022 -2.062935
H 3.613714 0.803628 1.808109
H 5.087546 1.562448 1.100671
H 3.788064 -2.054043 -0.621348
H 2.818687 -1.409474 0.754729
H 0.449016 0.947739 -1.790220
H 1.674100 2.174425 -2.236766
H -4.837948 -0.198299 -1.463961
H -3.479206 0.930900 -1.689517
H -0.689199 -1.501521 0.485861
H -1.904651 -2.739455 0.867429
H -0.324974 3.266625 -1.304966
H 1.021957 3.519768 -0.175074
H -4.932599 -1.715102 0.577152
H -4.782511 -0.331461 1.710163
H -3.626243 -1.668217 1.806793
H -0.984309 2.928156 1.146577
H 0.163058 1.539751 1.214162
H -0.204673 -2.673242 -1.711786
H -1.403645 -3.916930 -1.307014
H -5.747993 1.263175 0.409036
H -5.533174 2.201041 -1.091333
H -4.350078 2.361011 0.233640
H 5.887965 -1.976654 0.599180
H 6.436727 -0.441415 1.333461
H 5.097769 -1.369909 2.098382
H -0.042706 -4.558325 0.754698
H 1.166999 -3.315442 0.333255
H 0.922507 -4.725644 -0.740540


