%chk=000018252.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000018252

0 1
 O  -0.8796000      0.1604000      0.2197000    
 O    1.347000      0.6821000       1.607200    
 O   0.2013000       1.535400      -1.273400    
 N   -4.608900      6.7100003E-02 -3.0200001E-02
 C   -3.242800     -0.1563000      0.4561000    
 C   -3.126100      -1.671400      0.3044000    
 C   -4.784400     -0.7663000      -1.218200    
 C   -3.945400      -2.007400     -0.9371000    
 C   -4.978500       1.454300     -0.2494000    
 C   -2.129800      0.5704000     -0.3054000    
 C   -6.436000       1.527300     -0.6936000    
 C   -4.751000       2.269300       1.020700    
 C    1.517000      0.1666000      0.2711000    
 C   0.2365000      0.7230000     -0.3569000    
 C    1.539600      -1.363200      0.3090000    
 C    2.804000      0.7163000     -0.3488000    
 C    2.061900      -2.025600       1.420000    
 C    2.878400      0.9320000      -1.725000    
 C    1.037600      -2.095200     -0.7671000    
 C    3.902400       1.001900      0.4623000    
 C    1.269000       2.093500       1.593200    
 C    2.082500      -3.419900       1.454800    
 C    4.051100       1.433200      -2.290000    
 C    1.058000      -3.489500     -0.7321000    
 C    5.075000       1.503200     -0.1028000    
 C    1.091400       2.591600       3.011700    
 C    1.580500      -4.151800      0.3788000    
 C    5.149300       1.718900      -1.479000    
 H   -3.155200      7.9999998E-02   1.523800    
 H   -2.100300      -2.042800      0.2249000    
 H   -3.581300      -2.165600       1.173000    
 H   -5.830400      -1.050100      -1.373900    
 H   -4.418800     -0.2764000      -2.129300    
 H   -4.569800      -2.889100     -0.7575000    
 H   -3.288900      -2.225300      -1.786800    
 H   -4.374600       1.902300      -1.049200    
 H   -2.214200       1.655800     -0.1950000    
 H   -2.162200      0.3286000      -1.374700    
 H   -7.100100       1.013600      1.1200000E-02
 H   -6.590800       1.098800      -1.689200    
 H   -6.765900       2.571200     -0.7500000    
 H   -5.302300       1.846500       1.868900    
 H   -3.698900       2.345200       1.307300    
 H   -5.109600       3.295900      0.8811000    
 H    2.466200      -1.478000       2.266800    
 H    2.068700      0.6691000      -2.398000    
 H   0.6350000      -1.602600      -1.647900    
 H    3.881300      0.8221000       1.533800    
 H   0.3927000       2.473300       1.058900    
 H    2.151200       2.591300       1.185400    
 H    2.491100      -3.935800       2.318800    
 H    4.114200       1.588400      -3.363100    
 H   0.6690000      -4.059600      -1.570700    
 H    5.932400       1.720000      0.5276000    
 H   0.1910000       2.161100       3.462900    
 H    1.938000       2.285300       3.635200    
 H    1.011600       3.682200       3.039600    
 H    1.597200      -5.237400      0.4054000    
 H    6.063800       2.105000      -1.919400    


%chk=000018252-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000018252

0 1
O -0.862594 0.172209 0.046648
O 1.492641 0.898260 1.573608
O 0.127141 1.671902 -1.414739
N -4.647691 -0.000989 -0.092956
C -3.241238 -0.276218 0.308658
C -3.118786 -1.788631 0.018863
C -4.941652 -0.797745 -1.321947
C -3.919080 -1.975249 -1.302914
C -5.157889 1.393918 -0.062504
C -2.203825 0.550930 -0.489309
C -6.682653 1.404927 -0.316187
C -4.852262 2.059986 1.297881
C 1.546034 0.337355 0.198843
C 0.234054 0.804466 -0.516477
C 1.523704 -1.197739 0.372213
C 2.842152 0.784161 -0.507997
C 1.062492 -1.779233 1.577329
C 2.941221 1.071555 -1.891523
C 1.933872 -2.038727 -0.691271
C 4.022102 0.811781 0.282014
C 1.392994 2.375032 1.648432
C 1.016598 -3.183856 1.716186
C 4.194301 1.387907 -2.467385
C 1.874036 -3.443542 -0.555730
C 5.269437 1.130982 -0.291869
C 1.502778 2.741631 3.127524
C 1.416026 -4.022693 0.649755
C 5.361847 1.420506 -1.673913
H -3.095225 -0.062840 1.382506
H -2.067970 -2.115265 -0.053628
H -3.599377 -2.345519 0.841650
H -5.986397 -1.157250 -1.297346
H -4.826067 -0.191740 -2.253944
H -4.419737 -2.957340 -1.339797
H -3.246987 -1.919920 -2.178138
H -4.684496 2.013863 -0.871224
H -2.337286 1.640033 -0.357342
H -2.225142 0.325768 -1.571699
H -7.196404 0.787718 0.443499
H -6.938197 1.010313 -1.315082
H -7.069869 2.438170 -0.254350
H -5.302356 1.468482 2.115881
H -3.768764 2.150875 1.493458
H -5.281762 3.077597 1.322643
H 0.748707 -1.122996 2.392194
H 2.045778 1.077030 -2.517063
H 2.316482 -1.601520 -1.620018
H 3.946352 0.579612 1.349995
H 0.421310 2.707238 1.227359
H 2.205276 2.836613 1.053105
H 0.664206 -3.624039 2.656153
H 4.252637 1.614077 -3.538158
H 2.194633 -4.082870 -1.386091
H 6.168336 1.148480 0.334836
H 0.701270 2.255607 3.710544
H 2.474902 2.419272 3.539139
H 1.414613 3.835998 3.255374
H 1.375823 -5.112545 0.758415
H 6.330047 1.667112 -2.124203


