%chk=000048427.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048427

0 1
 O    1.767000      -1.686200      0.1037000    
 O    5.089700       1.337400      -1.020200    
 O   0.9434000       2.886400      0.1437000    
 O   -2.046800      -2.409900     -0.3441000    
 O   -5.405800       1.938800      0.1034000    
 N    1.329500      0.5902000      0.3197000    
 N    3.023200       2.089800     -0.3681000    
 C    3.663200     -0.1953000      0.1992000    
 C    4.457200      -1.333200     -0.4617000    
 C    4.087400     -7.8100003E-02   1.674500    
 C    2.171700     -0.5247000      0.1794000    
 C    4.006500       1.120700     -0.4790000    
 C  -7.9000004E-02  0.3421000      0.6038000    
 C    4.149000      -1.423400      -1.940100    
 C    3.810100      -1.363600       2.420700    
 C    1.708000       1.921500      5.9700001E-02
 C  -0.9153000      0.1931000     -0.6648000    
 C   -2.379400     -3.6899999E-02 -0.3810000    
 C   -2.866400      -1.326900     -0.2348000    
 C   -3.217100       1.063100     -0.2705000    
 C   -4.573100      0.8682000     -8.0000004E-03
 C   -4.222400      -1.522000      2.7500000E-02
 C   -5.075700     -0.4244000      0.1411000    
 C   -2.644300      -3.694000     -0.1774000    
 C   -6.780400       1.667200      0.3731000    
 H    5.536700      -1.184000     -0.3325000    
 H    4.219700      -2.310600     -2.8400000E-02
 H    3.552600      0.7413000       2.171800    
 H    5.155100      0.1650000       1.749700    
 H  -0.4677000       1.167300       1.213400    
 H  -0.1636000     -0.5645000       1.216000    
 H    3.272400       3.021900     -0.6874000    
 H    4.675700      -2.284100      -2.368200    
 H    4.480500     -0.5470000      -2.502900    
 H    3.084000      -1.571300      -2.141300    
 H    4.094200      -1.226200       3.471200    
 H    4.403100      -2.207900       2.061000    
 H    2.753500      -1.642700       2.430100    
 H  -0.8081000       1.090200      -1.289500    
 H  -0.5205000     -0.6202000      -1.287400    
 H   -2.829700       2.072300     -0.3834000    
 H   -4.682600      -2.495800      0.1549000    
 H   -6.117600     -0.6464000      0.3459000    
 H   -3.386800      -3.898400     -0.9562000    
 H   -3.050600      -3.822700      0.8317000    
 H   -1.848300      -4.436700     -0.2956000    
 H   -7.246600       1.103200     -0.4417000    
 H   -6.910900       1.178400       1.344500    
 H   -7.295400       2.631900      0.4293000    


%chk=000048427-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048427

0 1
O 1.790026 -1.768612 0.281421
O 5.166520 1.568364 -0.573104
O 0.794296 2.793981 0.339701
O -1.971334 -2.305269 0.031811
O -5.556606 2.018970 -0.362950
N 1.284071 0.497335 0.402399
N 2.974547 2.114487 -0.088831
C 3.706093 -0.249213 0.218599
C 4.440313 -1.248955 -0.720682
C 4.265012 -0.349978 1.706477
C 2.202760 -0.578424 0.270204
C 4.023047 1.190273 -0.206603
C -0.158163 0.193463 0.636896
C 4.025376 -1.134949 -2.202826
C 4.202974 -1.750553 2.345936
C 1.627214 1.856021 0.235686
C -0.979752 0.205963 -0.680317
C -2.459870 -0.004179 -0.408535
C -2.951889 -1.294898 -0.041423
C -3.375526 1.059639 -0.495977
C -4.756661 0.867350 -0.235244
C -4.323802 -1.494466 0.215272
C -5.234169 -0.413011 0.119947
C -2.413355 -3.661041 0.353087
C -6.987574 1.869337 -0.102826
H 5.525207 -1.062783 -0.620923
H 4.227246 -2.268839 -0.359369
H 3.712491 0.372893 2.339816
H 5.314842 -0.002607 1.661291
H -0.548893 0.956268 1.329881
H -0.209461 -0.806037 1.094114
H 3.193688 3.098978 -0.274205
H 4.578861 -1.873424 -2.809873
H 4.252029 -0.133946 -2.611856
H 2.947405 -1.340188 -2.335971
H 4.547380 -1.686816 3.394430
H 4.858558 -2.467516 1.822941
H 3.179989 -2.163155 2.342643
H -0.833356 1.176078 -1.186957
H -0.596114 -0.600986 -1.330943
H -3.031194 2.061938 -0.771371
H -4.704902 -2.482329 0.490878
H -6.294440 -0.589559 0.323103
H -3.130627 -4.040413 -0.401357
H -2.876936 -3.707863 1.358564
H -1.498492 -4.271267 0.337726
H -7.455548 1.156188 -0.810447
H -7.177057 1.534754 0.936592
H -7.414923 2.871896 -0.252024


