%chk=000070564.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000070564

0 1
 O   0.2005000      -2.460100     -0.2751000    
 O    5.569000      0.8171000      3.4800000E-02
 N   -3.257600     -0.1092000      0.3314000    
 C   -3.299300      0.9186000     -0.7183000    
 C   -4.530600     -0.8390000      0.4112000    
 C   -4.421900       1.925000     -0.4607000    
 C   -5.693400      0.1100000      0.7059000    
 C   -5.771400       1.228600     -0.3267000    
 C   -2.150500      -1.035700      9.6199997E-02
 C  -0.8062000     -0.3093000      0.1397000    
 C   0.3634000      -1.258100     -7.7799998E-02
 C    1.749900     -0.7058000     -4.8999999E-02
 C    1.917200      0.6418000      0.1736000    
 C    2.806600      -1.565100     -0.2452000    
 C    3.212600       1.158500      0.2014000    
 C    4.102100      -1.048400     -0.2174000    
 C    4.305000      0.3134000      5.9000002E-03
 C    5.704600       2.217900      0.2698000    
 H   -3.428300      0.4651000      -1.709800    
 H   -2.384500       1.516500     -0.7427000    
 H   -4.484600      -1.580800       1.217900    
 H   -4.728000      -1.383600     -0.5217000    
 H   -4.462700       2.652900      -1.279000    
 H   -4.208800       2.487500      0.4574000    
 H   -5.568900      0.5439000       1.706200    
 H   -6.635200     -0.4503000      0.7156000    
 H   -6.541800       1.952600     -3.9999999E-02
 H   -6.065700      0.8110000      -1.297400    
 H   -2.267200      -1.556800     -0.8636000    
 H   -2.148800      -1.808500      0.8761000    
 H  -0.7345000      0.4258000     -0.6663000    
 H  -0.6919000      0.1796000       1.113800    
 H    1.099100       1.335200      0.3304000    
 H    2.670700      -2.627700     -0.4203000    
 H    3.299100       2.225000      0.3798000    
 H    4.949200      -1.711600     -0.3699000    
 H    5.327300       2.498400       1.259000    
 H    5.245900       2.806700     -0.5319000    
 H    6.775800       2.445000      0.2601000    


%chk=000070564-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000070564

0 1
O 0.197080 -2.457902 -0.282413
O 5.760039 0.718957 0.167079
N -3.318349 -0.076078 0.146749
C -3.572004 0.911860 -0.933416
C -4.552107 -0.845727 0.459701
C -4.683924 1.905410 -0.536238
C -5.692387 0.088588 0.910025
C -5.985017 1.155158 -0.170134
C -2.176629 -0.976653 -0.157727
C -0.822975 -0.256044 -0.029208
C 0.372124 -1.209159 -0.131971
C 1.754161 -0.638987 -0.047122
C 2.007218 0.741085 0.165235
C 2.868034 -1.519612 -0.180417
C 3.323321 1.240869 0.244979
C 4.181181 -1.040399 -0.106583
C 4.415410 0.345265 0.107564
C 6.071034 2.135307 0.390084
H -3.865788 0.392057 -1.885837
H -2.637734 1.465192 -1.140443
H -4.313363 -1.568012 1.262514
H -4.895143 -1.438907 -0.430453
H -4.861092 2.611522 -1.370654
H -4.339446 2.494523 0.335879
H -5.391347 0.587754 1.851483
H -6.598006 -0.512020 1.122166
H -6.757612 1.864976 0.181687
H -6.389515 0.658074 -1.076451
H -2.261562 -1.438507 -1.172553
H -2.192923 -1.814147 0.562342
H -0.711944 0.531373 -0.801034
H -0.795648 0.268398 0.947571
H 1.173542 1.442439 0.275586
H 2.663928 -2.583161 -0.341793
H 3.487198 2.309295 0.412503
H 5.043330 -1.706158 -0.208625
H 5.669067 2.485473 1.360165
H 5.674912 2.766086 -0.428748
H 7.169136 2.187913 0.401907


