%chk=000070889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070889

0 1
 O   -5.098900       2.665900      0.2457000    
 O   -6.224300       1.276100      -1.137200    
 O   -1.400400       1.431000      -1.472300    
 O    2.554400      0.8561000      0.3670000    
 O   0.8288000     -2.3000001E-03   1.616200    
 N   -2.911700       1.229400      0.2818000    
 N   0.5829000       1.951700      0.3868000    
 C   -3.993900      0.6266000     -0.4631000    
 C   -4.376400     -0.7381000      0.1240000    
 C   -3.223100      -1.712000      0.1513000    
 C   -5.211900       1.538200     -0.4961000    
 C   -2.387300      -1.772500       1.266400    
 C   -2.992900      -2.550900     -0.9391000    
 C   -1.698200       1.582800     -0.2902000    
 C  -0.7809000       2.242300      0.7173000    
 C   -1.321500      -2.672100       1.291100    
 C   -1.927200      -3.450600     -0.9143000    
 C   -1.091500      -3.511100      0.2007000    
 C    4.742200     -7.8299999E-02  0.1540000    
 C    3.388100     -0.2318000      0.7819000    
 C    1.280500      0.8530000      0.8618000    
 C    5.740100      0.6386000      0.8144000    
 C    5.003000     -0.6520000      -1.090400    
 C    6.998800      0.7815000      0.2303000    
 C    6.261700     -0.5092000      -1.674300    
 C    7.259400      0.2076000      -1.014000    
 H   -3.671500      0.5077000      -1.504700    
 H   -4.765400     -0.6141000       1.144400    
 H   -5.206500      -1.176500     -0.4460000    
 H   -3.081300       1.446700       1.259700    
 H   -2.555500      -1.126200       2.123800    
 H   -3.635800      -2.511000      -1.814400    
 H  -0.9266000       3.325500      0.6725000    
 H  -0.9905000       1.889500       1.732100    
 H  -0.6706000      -2.719300       2.159200    
 H   -1.747400      -4.103200      -1.763500    
 H  -0.2613000      -4.210900      0.2199000    
 H    1.067700       2.582300     -0.2448000    
 H    2.934600      -1.182900      0.4761000    
 H    3.476100     -0.2347000       1.875400    
 H   -5.907200       3.219500      0.1970000    
 H    5.548500       1.092100       1.783200    
 H    4.233000      -1.210900      -1.615700    
 H    7.775700       1.340200      0.7441000    
 H    6.464700     -0.9555000      -2.643500    
 H    8.239400      0.3191000      -1.468900    


%chk=000070889-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070889

0 1
O -4.513802 1.573958 1.923302
O -5.357884 -0.571515 1.677549
O -3.094159 1.985119 -1.699087
O 2.069217 1.929164 0.411429
O 0.084724 1.897529 1.700472
N -2.376084 1.146373 0.362455
N 0.132186 2.684342 -0.505353
C -3.341032 0.055130 0.395872
C -2.676630 -1.328201 0.695953
C -1.745324 -1.775473 -0.418093
C -4.497823 0.287501 1.381228
C -0.363946 -1.459085 -0.386433
C -2.249736 -2.499424 -1.528896
C -2.326232 2.035175 -0.690673
C -1.264725 3.149359 -0.529095
C 0.496641 -1.855243 -1.435375
C -1.395162 -2.897221 -2.581082
C -0.018079 -2.576200 -2.537202
C 3.707623 0.228202 1.095900
C 2.850285 1.374987 1.574346
C 0.703904 2.151304 0.621265
C 5.010812 0.468657 0.591646
C 3.222491 -1.103539 1.139951
C 5.812243 -0.599736 0.131940
C 4.020176 -2.174440 0.679745
C 5.317405 -1.924328 0.174044
H -3.804953 0.019698 -0.611237
H -2.128234 -1.251690 1.654699
H -3.494740 -2.055247 0.842542
H -1.723619 1.290719 1.148985
H 0.036862 -0.896980 0.466303
H -3.316210 -2.755389 -1.566832
H -1.389549 3.835143 -1.380708
H -1.469035 3.702199 0.406989
H 1.562071 -1.602565 -1.390405
H -1.800668 -3.457540 -3.431131
H 0.646024 -2.885314 -3.352284
H 0.703899 2.743307 -1.348556
H 2.125909 1.077264 2.352055
H 3.460917 2.218121 1.940657
H -5.304081 1.658388 2.524262
H 5.395579 1.495240 0.556780
H 2.221971 -1.304743 1.541934
H 6.818348 -0.402503 -0.254181
H 3.633552 -3.198617 0.719547
H 5.938768 -2.754586 -0.179629


