%chk=000051723.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051723

0 1
 O  -0.2088000      -1.609400       2.043300    
 O   -3.507500      -1.452500      1.5000000E-02
 O   -4.935100      -1.332200       1.774400    
 N   -1.645600      1.0900000E-02   1.117000    
 C   0.5622000     -0.1584000      0.1786000    
 C  -0.2976000      0.9121000     -0.4931000    
 C  -0.4524000     -0.7103000       1.249200    
 C   -1.562700      0.9609000      9.4599999E-02
 C    1.755400      0.4172000      0.8656000    
 C   0.9478000      -1.253200     -0.7595000    
 C   1.5699999E-02   1.760000      -1.548300    
 C   -2.816600     -0.2005000       1.935500    
 C   -2.537400       1.846500     -0.3362000    
 C  -0.9557000       2.659100      -1.995300    
 C    2.562800     -0.3974000       1.658900    
 C    2.194500      -1.228600      -1.383600    
 C    2.062400       1.769000      0.7134000    
 C   6.1299998E-02  -2.299900      -1.010800    
 C   -2.222400       2.702200      -1.393000    
 C  -0.6445000       3.582700      -3.125400    
 C    3.678200      0.1404000       2.300900    
 C    2.555200      -2.251900      -2.260300    
 C    3.178000       2.306700       1.355200    
 C   0.4221000      -3.323200      -1.887400    
 C   -3.864000      -1.043600       1.254700    
 C    3.985800       1.492400       2.149000    
 C    1.669100      -3.299100      -2.512100    
 H   0.9875000       1.713800      -2.030900    
 H   -3.248000      0.7663000       2.211800    
 H   -2.514000     -0.7289000       2.845800    
 H   -3.521600       1.886600      0.1167000    
 H    2.354100      -1.455600       1.788800    
 H    2.904300     -0.4180000      -1.248600    
 H    1.478000       2.491400      0.1646000    
 H  -0.9268000      -2.349800     -0.5656000    
 H   -2.973700       3.405100      -1.745100    
 H   7.2200000E-02   3.130500      -3.819400    
 H   -1.544600       3.817900      -3.703300    
 H  -0.2203000       4.515700      -2.741200    
 H    4.308400     -0.4937000       2.917600    
 H    3.522600      -2.229200      -2.753700    
 H    3.413100       3.361600       1.246900    
 H  -0.2697000      -4.136100      -2.088200    
 H    4.853200       1.911600       2.650500    
 H    1.948600      -4.094200      -3.197100    
 H   -4.204300      -1.999200     -0.4065000    


%chk=000051723-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051723

0 1
O -0.204681 -1.553657 2.149555
O -3.455403 -1.769727 0.308345
O -5.113707 -0.781901 1.605245
N -1.599611 0.073335 1.175891
C 0.589832 -0.120469 0.199670
C -0.276915 0.916069 -0.527353
C -0.403015 -0.655322 1.294407
C -1.551559 0.988149 0.089402
C 1.803013 0.475473 0.952167
C 0.981216 -1.252530 -0.780100
C -0.001305 1.704030 -1.650735
C -2.754398 -0.189782 2.014789
C -2.553867 1.851717 -0.380433
C -0.992109 2.594256 -2.159097
C 2.662667 -0.404234 1.662820
C 2.219884 -1.212482 -1.467148
C 2.058534 1.867222 0.999603
C 0.063189 -2.291020 -1.080652
C -2.250848 2.654924 -1.509517
C -0.700775 3.450770 -3.379598
C 3.759288 0.098944 2.392125
C 2.539030 -2.195351 -2.430346
C 3.159915 2.371186 1.730414
C 0.384900 -3.275329 -2.040001
C -3.907509 -0.908880 1.310027
C 4.016041 1.490441 2.426996
C 1.623469 -3.232203 -2.720591
H 0.973132 1.631399 -2.148524
H -3.161339 0.736588 2.455433
H -2.404662 -0.843099 2.839141
H -3.539960 1.909997 0.092657
H 2.456487 -1.479297 1.652363
H 2.942896 -0.422117 -1.237159
H 1.399587 2.562148 0.469722
H -0.903187 -2.335544 -0.565224
H -3.016910 3.337404 -1.895915
H -0.504261 2.826134 -4.271627
H -1.548291 4.116291 -3.617324
H 0.192437 4.085073 -3.226000
H 4.411131 -0.593474 2.936465
H 3.503053 -2.152839 -2.949948
H 3.344396 3.451226 1.755404
H -0.330001 -4.077723 -2.255098
H 4.869026 1.881021 2.993392
H 1.873178 -3.997981 -3.463563
H -4.232789 -2.233134 -0.106686


