%chk=000030977.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030977

0 1
 O   -4.977800      0.1998000     -3.7900001E-02
 O    3.029600       1.069800      -1.629900    
 O   -6.095700       2.746000      0.2734000    
 N   -1.128100      -1.515100     -0.3454000    
 N    1.533000     -0.5798000      0.1052000    
 C  -2.1100000E-02  -2.468400     -0.1988000    
 C  -0.6497000     -0.2912000     -0.9995000    
 C    1.105800      -1.874800      0.6497000    
 C   0.4572000      0.3750000     -0.1786000    
 C   -2.221300      -2.112700      -1.111200    
 C   -3.382800      -1.131000      -1.230100    
 C    2.805500     -0.1097000      0.4486000    
 C   -3.911500     -0.7227000      0.1383000    
 C    3.549700      0.7143000     -0.4212000    
 C    3.383100     -0.4518000       1.688300    
 C    4.817000       1.176000     -6.5600000E-02
 C    4.650500      9.8999999E-03   2.043600    
 C    5.367400      0.8239000       1.166700    
 C   -5.515700      0.6201000       1.208800    
 C   -6.629300       1.618000      0.9560000    
 C    3.834000       1.904300      -2.460500    
 H  -0.3749000      -3.382700      0.2929000    
 H   0.3738000      -2.758000      -1.182100    
 H   -1.432300      0.4669000      -1.089400    
 H  -0.2789000     -0.5075000      -2.010500    
 H    1.936500      -2.591800      0.6528000    
 H   0.7577000      -1.749600       1.683200    
 H   4.7499999E-02  0.7402000      0.7725000    
 H   0.8098000       1.255100     -0.7249000    
 H   -1.892600      -2.409300      -2.115500    
 H   -2.576200      -3.019700     -0.6060000    
 H   -3.158900     -0.2562000      -1.849300    
 H   -4.197700      -1.630100      -1.772600    
 H   -3.131000     -0.2416000      0.7374000    
 H   -4.276100      -1.604300      0.6789000    
 H    2.853100      -1.069600       2.408700    
 H    5.432600       1.811000     -0.6932000    
 H    5.077900     -0.2608000       3.004700    
 H    6.353800       1.183600       1.445100    
 H   -5.906800     -0.2444000       1.756200    
 H   -4.722200       1.094900       1.797700    
 H   -7.404800       1.178400      0.3209000    
 H   -7.073300       1.951800       1.898400    
 H    4.763000       1.405200      -2.756700    
 H    3.266000       2.086600      -3.378900    
 H    4.012400       2.881800      -1.999600    
 H   -6.831600       3.364400      0.1264000    


%chk=000030977-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030977

0 1
O -5.215594 0.122843 0.080263
O 3.019284 1.223544 -1.551471
O -6.428942 2.653092 0.041855
N -1.138817 -1.410344 -0.401776
N 1.612575 -0.597461 0.046482
C -0.068512 -2.403683 -0.145360
C -0.564884 -0.231779 -1.100576
C 1.059127 -1.796130 0.707318
C 0.556057 0.401175 -0.263178
C -2.291566 -2.013669 -1.117784
C -3.535140 -1.100606 -1.156986
C 2.900257 -0.148095 0.440133
C -3.975054 -0.652397 0.239587
C 3.647414 0.783281 -0.365194
C 3.540877 -0.645892 1.609458
C 4.943321 1.192822 0.014592
C 4.847780 -0.252327 1.975059
C 5.551635 0.675530 1.183575
C -5.712364 0.688024 1.344987
C -6.878744 1.598495 0.954614
C 3.783725 2.101238 -2.438155
H -0.503733 -3.264235 0.397242
H 0.373809 -2.785017 -1.101369
H -1.357079 0.522340 -1.255279
H -0.155548 -0.516159 -2.102884
H 1.859949 -2.548378 0.821227
H 0.654525 -1.557837 1.720195
H 0.117808 0.792846 0.684497
H 1.006461 1.235384 -0.819531
H -2.021108 -2.299783 -2.167534
H -2.551109 -2.951764 -0.588109
H -3.355511 -0.207581 -1.784316
H -4.365568 -1.655719 -1.633128
H -3.191464 -0.032626 0.722124
H -4.162816 -1.534204 0.892016
H 2.998939 -1.340736 2.257574
H 5.499263 1.901209 -0.607101
H 5.301012 -0.662042 2.884334
H 6.561258 0.997149 1.459656
H -6.042639 -0.120408 2.033680
H -4.907423 1.276806 1.835850
H -7.681548 0.988425 0.489549
H -7.284667 2.112285 1.842194
H 4.717918 1.613441 -2.778094
H 3.124314 2.281217 -3.300532
H 4.026174 3.064265 -1.947508
H -5.887049 2.197660 -0.655198


