%chk=000005290.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000005290

0 1
 O    4.637700      -1.389200     -1.0300000E-02
 O   -5.926400      4.1000001E-02 -1.3400000E-02
 O   -4.547200       2.225200       1.007600    
 O    6.088300      0.9252000     -0.3666000    
 N   0.3774000      -1.269800     -0.2590000    
 C  -0.2406000     -0.1098000      0.4292000    
 C   0.4269000       1.168800     -0.1349000    
 C  -0.3530000      -2.509800      1.7000001E-02
 C   -1.761300     -5.9700001E-02  0.2943000    
 C    1.790100      -1.408600      0.1344000    
 C   -1.744700      -2.423200     -0.6043000    
 C   -2.474100      -1.177700     -0.1790000    
 C    1.933600       1.093800     -0.1793000    
 C    2.585500     -0.1454000     -8.3499998E-02
 C   -2.486000       1.070100      0.7093000    
 C    3.984900     -0.1970000     -0.1358000    
 C   -3.871200      -1.125400     -0.2931000    
 C    2.687900       2.260100     -0.3655000    
 C   -3.877600       1.108900      0.6053000    
 C   -4.569300      1.4700000E-02  9.7300000E-02
 C    4.727700      0.9702000     -0.3106000    
 C    4.079600       2.197200     -0.4286000    
 C    4.999500      -1.791300       1.308200    
 C   -6.467700      0.5316000      -1.238600    
 H  -3.1800002E-02 -0.1829000       1.507400    
 H   0.1507000       2.032400      0.4820000    
 H   6.7699999E-02   1.362900      -1.154900    
 H  -0.4227000      -2.693900       1.097600    
 H   0.1642000      -3.368900     -0.4277000    
 H    2.232700      -2.210400     -0.4695000    
 H    1.867300      -1.692100       1.191800    
 H   -2.316600      -3.310800     -0.3085000    
 H   -1.668300      -2.424300      -1.699100    
 H   -1.971100       1.931900       1.126000    
 H   -4.415700      -1.983300     -0.6813000    
 H    2.193600       3.223600     -0.4603000    
 H    4.645700       3.114200     -0.5687000    
 H   -5.501400       2.067800      0.9040000    
 H    6.430700       1.827200     -0.4895000    
 H    5.423900      -2.797500       1.254200    
 H    4.128300      -1.816000       1.969500    
 H    5.757200      -1.115600       1.717300    
 H   -6.172100     -0.1141000      -2.071500    
 H   -6.138700       1.558800      -1.425400    
 H   -7.558200      0.5228000      -1.159000    


%chk=000005290-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000005290

0 1
O 4.437527 -1.610270 0.289213
O -5.985735 0.692243 -0.204513
O -4.496760 2.576920 0.992210
O 6.194969 0.671113 0.119786
N 0.299895 -1.161620 -0.323328
C -0.277531 0.044552 0.324399
C 0.461677 1.271621 -0.269537
C -0.540228 -2.370091 -0.208127
C -1.794267 0.143889 0.141012
C 1.692061 -1.404939 0.106830
C -1.855423 -2.147291 -0.971666
C -2.547270 -0.884449 -0.481135
C 1.970986 1.128137 -0.149132
C 2.551109 -0.153077 0.032444
C -2.463342 1.294025 0.637195
C 3.958838 -0.291801 0.161929
C -3.954095 -0.740814 -0.619675
C 2.813324 2.263767 -0.204063
C -3.850146 1.435305 0.499016
C -4.601434 0.410183 -0.142214
C 4.793122 0.853999 0.064306
C 4.212235 2.130843 -0.103248
C 5.499535 -1.882496 1.278607
C -6.849300 -0.305806 -0.833606
H -0.071218 0.023680 1.430045
H 0.135792 2.200477 0.234684
H 0.165412 1.354996 -1.333120
H -0.759512 -2.632961 0.859316
H 0.017826 -3.217607 -0.647968
H 2.131008 -2.188959 -0.535927
H 1.739150 -1.805595 1.155447
H -2.521458 -3.023171 -0.846213
H -1.619711 -2.062118 -2.050731
H -1.916071 2.094407 1.145259
H -4.524353 -1.544699 -1.098089
H 2.371424 3.258782 -0.329562
H 4.857713 3.017699 -0.162593
H -5.468187 2.488571 0.801655
H 6.652150 1.537178 -0.019005
H 5.602641 -2.978724 1.283580
H 5.194945 -1.528411 2.282588
H 6.445563 -1.400373 0.986805
H -6.804572 -1.268076 -0.287940
H -6.565591 -0.464449 -1.891850
H -7.867299 0.107110 -0.778588


