%chk=000040962.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040962

0 1
 O    1.488000     -0.8855000      -1.070000    
 O   -5.407900      -1.364900     -0.6239000    
 N    3.951100     -0.1520000     -6.5800004E-02
 N   0.5150000      0.8805000      0.1328000    
 C    2.888400      0.8493000     -0.1474000    
 C    3.672000      -1.107500       1.005600    
 C    5.245800      0.4932000      0.1491000    
 C    1.565200      0.1598000     -0.4322000    
 C    4.747100      -2.140400       1.106100    
 C    5.577900       1.430000     -0.9667000    
 C  -0.8653000      0.5709000      9.1300003E-02
 C   -1.767400       1.415100      0.7171000    
 C   -1.284600     -0.5685000     -0.5748000    
 C   -3.567000     -3.2900002E-02  9.1000004E-03
 C   -3.128100       1.110900      0.6758000    
 C   -2.645300     -0.8726000     -0.6162000    
 C   -4.985700     -0.3497000     -3.5100002E-02
 C   -5.999000      0.5643000      0.6453000    
 H    2.832500       1.443300      0.7732000    
 H    3.028000       1.533100     -0.9915000    
 H    3.562800     -0.6001000       1.973300    
 H    2.737900      -1.650300      0.8320000    
 H    5.282400       1.023700       1.109200    
 H    6.052100     -0.2471000      0.1553000    
 H    5.001000      -2.570000      0.1306000    
 H    5.660600      -1.761800       1.575700    
 H    4.405200      -2.968500       1.738300    
 H    5.430600      0.9691000      -1.949900    
 H    5.002100       2.360100     -0.9258000    
 H    6.632800       1.721900     -0.9053000    
 H   0.7445000       1.736900      0.6324000    
 H   -1.435600       2.308600       1.238700    
 H  -0.6353000      -1.266400      -1.082200    
 H   -3.810900       1.791300       1.175200    
 H   -2.964200      -1.769100      -1.141800    
 H   -5.971100       1.560400      0.1963000    
 H   -5.806200      0.6088000       1.720300    
 H   -7.004100      0.1558000      0.4991000    


%chk=000040962-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000040962

0 1
O 1.519453 -0.950179 -0.791809
O -5.557147 -1.277324 -0.935782
N 4.073690 -0.022669 0.214777
N 0.456949 0.771365 0.404754
C 2.898639 0.843084 0.238239
C 4.068485 -1.062379 1.277670
C 5.351275 0.724153 0.099792
C 1.582587 0.103703 -0.106040
C 4.912165 -2.296973 0.909094
C 5.568510 1.352924 -1.290528
C -0.917306 0.475314 0.219718
C -1.862898 1.339614 0.840878
C -1.379062 -0.631819 -0.548860
C -3.715474 0.007456 -0.065295
C -3.240813 1.107587 0.699783
C -2.760326 -0.848064 -0.680389
C -5.174364 -0.283696 -0.247585
C -6.197861 0.639865 0.410152
H 2.761882 1.379800 1.220849
H 3.025293 1.633409 -0.527228
H 4.408262 -0.643132 2.259671
H 3.023417 -1.394135 1.412390
H 5.439924 1.514150 0.890966
H 6.168197 0.005429 0.286431
H 4.547515 -2.721924 -0.041004
H 5.984406 -2.055751 0.793463
H 4.828505 -3.065730 1.699573
H 5.500253 0.575613 -2.070535
H 4.824008 2.136461 -1.523139
H 6.567198 1.824618 -1.343665
H 0.657108 1.589017 0.988553
H -1.511978 2.194711 1.433212
H -0.652492 -1.294973 -1.020582
H -3.946435 1.787829 1.187787
H -3.135912 -1.693192 -1.267089
H -6.092069 1.677619 0.042183
H -6.068839 0.661242 1.508484
H -7.209446 0.276678 0.174309


