%chk=000013457.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013457

0 1
 O  -0.7775000      4.5699999E-02 -0.2140000    
 O    1.296000      -3.086600     -0.2108000    
 O   -1.944300       1.432800       1.205900    
 N    2.558600       1.076100     -0.7615000    
 C    1.634100     -6.2600002E-02 -0.4701000    
 C   0.4507000      0.5406000      0.2892000    
 C   0.5787000       2.032300      3.3199999E-02
 C    2.080600       2.225300      2.2200000E-02
 C    2.445500      -1.060600      0.2991000    
 C    3.907200      0.6349000     -0.3445000    
 C    3.719500     -0.6640000      0.3650000    
 C    1.865500      -2.316900      0.8384000    
 C   -1.913000      0.5779000      0.3322000    
 C   -3.120000     -4.4100001E-02 -0.2922000    
 C   -3.035400     -0.4805000      -1.724700    
 C   -4.208700     -0.1315000      0.4942000    
 C   -5.537600     -0.7190000      0.1384000    
 H    1.314100     -0.5068000      -1.421000    
 H   0.5198000      0.3317000       1.365500    
 H   0.1164000       2.646300      0.8114000    
 H   0.1314000       2.315100     -0.9282000    
 H    2.369300       3.172300     -0.4432000    
 H    2.455900       2.212400       1.053900    
 H    4.418000       1.364200      0.2940000    
 H    4.525900      0.4789000      -1.235000    
 H    4.518400      -1.213800      0.8407000    
 H    1.084100      -2.093500       1.571500    
 H    2.630400      -2.925900       1.331600    
 H   0.9219000      -3.888000      0.1932000    
 H   -4.016200     -0.5798000      -2.196600    
 H   -2.480800      0.2567000      -2.315900    
 H   -2.518000      -1.442200      -1.799500    
 H   -4.156000      0.2356000       1.518200    
 H   -5.825600      -1.454600      0.8964000    
 H   -5.544900      -1.228200     -0.8276000    
 H   -6.298500      6.7000002E-02  0.1211000    


%chk=000013457-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000013457

0 1
O -0.942107 0.742352 -0.305874
O 0.798354 -2.551843 1.771263
O -1.403915 -1.026743 1.134902
N 2.424172 0.661641 -1.025439
C 1.441989 -0.117830 -0.171446
C 0.403925 0.929689 0.329447
C 0.917751 2.300553 -0.163261
C 2.406077 2.055398 -0.472798
C 2.324712 -0.806494 0.893174
C 3.756537 -0.006128 -0.834921
C 3.622414 -0.749842 0.492353
C 1.776853 -1.514475 2.112162
C -1.762031 -0.263299 0.191165
C -3.077970 -0.304511 -0.513768
C -3.324047 0.699260 -1.621044
C -3.956260 -1.266583 -0.088498
C -5.339595 -1.545914 -0.607496
H 0.926179 -0.888292 -0.777974
H 0.258656 0.867876 1.422022
H 0.758888 3.106875 0.571512
H 0.371911 2.552869 -1.088277
H 2.803320 2.768133 -1.215750
H 3.015458 2.143716 0.459244
H 4.570834 0.742952 -0.847856
H 3.949416 -0.716045 -1.664701
H 4.466014 -1.214747 1.011579
H 1.329079 -0.780871 2.820358
H 2.595521 -2.033289 2.639867
H -0.072561 -2.103628 1.567461
H -4.318949 0.567435 -2.075314
H -3.249374 1.733552 -1.239840
H -2.562463 0.603344 -2.415362
H -3.608055 -1.913891 0.730266
H -5.403681 -2.586890 -0.981433
H -5.652237 -0.869105 -1.418695
H -6.079316 -1.468023 0.213471


