%chk=000083944.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000083944

0 1
 O    1.467000     -0.3443000      0.3645000    
 O   0.3880000       1.709700      0.6088000    
 O    5.115500       1.477600     -0.1268000    
 O    4.737400      -1.273900     -0.9838000    
 O    2.627900       3.001300     -0.5311000    
 O    3.150600      -3.349600     -0.3138000    
 O    1.589200      -2.742700       1.232100    
 O   -5.303100     -0.2753000      -1.881200    
 N   -4.770100     -0.3185000      0.4150000    
 C    3.868900      0.9322000     -0.5611000    
 C    3.832100     -0.5425000     -0.1587000    
 C    2.719800       1.713300      7.7100001E-02
 C    2.432600      -1.116900     -0.3396000    
 C    1.385100      0.9940000     -0.1194000    
 C    2.321700      -2.465900      0.2939000    
 C  -0.8840000       1.208300      0.5608000    
 C   -1.533400       1.089200     -0.6641000    
 C   -1.519000      0.8230000       1.737300    
 C   -2.831000      0.5801000     -0.7128000    
 C   -2.816700      0.3137000       1.688400    
 C   -3.472700      0.1923000      0.4633000    
 C   -5.581300     -0.5145000     -0.7106000    
 C   -6.924400      -1.090700     -0.3383000    
 H    3.844900       1.045500      -1.652100    
 H    4.174600     -0.6547000      0.8774000    
 H    2.913300       1.874500       1.144900    
 H    2.136200      -1.208700      -1.391900    
 H    1.126000      0.9927000      -1.186500    
 H    5.822500      0.9547000     -0.5422000    
 H    4.444900      -1.182900      -1.906700    
 H    3.490500       3.436700     -0.4203000    
 H   -1.056000       1.403600      -1.587700    
 H   -1.011500      0.9156000       2.693400    
 H    3.093800      -4.242200      8.9199997E-02
 H   -3.275500      0.5203000      -1.696400    
 H   -3.304400      1.5000000E-02   2.612800    
 H   -5.168300     -0.5783000       1.315100    
 H   -6.789400      -2.070300      0.1285000    
 H   -7.539900      -1.205700      -1.234900    
 H   -7.435500     -0.4206000      0.3586000    


%chk=000083944-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000083944

0 1
O 1.988498 -0.747218 0.797905
O 0.389330 0.904855 1.062495
O 4.555458 1.993202 -1.077326
O 5.225046 -0.780540 -1.164971
O 1.724508 2.520330 -0.972425
O 4.777319 -3.017675 0.300837
O 2.877218 -3.230319 1.623253
O -5.616886 0.826585 -1.830994
N -5.130613 -0.101111 0.271902
C 3.579155 0.912026 -0.934339
C 4.193011 -0.312918 -0.241286
C 2.394061 1.505299 -0.160198
C 3.052621 -1.351110 -0.005905
C 1.348884 0.416751 0.124801
C 3.493243 -2.604410 0.751555
C -0.983536 0.626414 0.802102
C -1.608788 1.097508 -0.372761
C -1.718812 -0.058288 1.790699
C -2.983911 0.864245 -0.582399
C -3.094241 -0.280496 1.590041
C -3.736011 0.169634 0.403726
C -5.986692 0.215895 -0.784476
C -7.433747 -0.234328 -0.586684
H 3.227489 0.584979 -1.939031
H 4.624762 -0.024212 0.739943
H 2.750265 1.924325 0.802627
H 2.677428 -1.676823 -1.005618
H 0.867585 0.079341 -0.819683
H 5.348094 1.620626 -1.542944
H 5.581156 -1.640993 -0.813582
H 2.409625 3.187857 -1.234763
H -1.024740 1.669541 -1.102360
H -1.207797 -0.410050 2.691036
H 5.043471 -3.849992 0.776999
H -3.485957 1.220260 -1.483378
H -3.670153 -0.815624 2.356179
H -5.552713 -0.597241 1.059653
H -7.717253 -0.901658 -1.418705
H -8.093136 0.649169 -0.638436
H -7.616942 -0.758733 0.367612


