%chk=000056484.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000056484

0 1
 O  -0.6748000     -0.4465000     -0.1626000    
 O    5.385400      0.9449000     -0.3412000    
 O   0.1176000      -2.607700     -0.1397000    
 N   -4.343000     -0.1656000     -9.2399999E-02
 C   -6.727200      0.5575000     -3.7300002E-02
 C   -5.250200      0.9765000     -0.1344000    
 C   -6.956500     -0.2319000       1.254300    
 C   -7.681500       1.753600     -8.5400000E-02
 C   -2.955400      0.2736000     -0.1189000    
 C   -2.014300     -0.9205000     -0.1191000    
 C    1.644700     -0.7779000     -0.2135000    
 C   0.2973000      -1.400100     -0.1683000    
 C    1.797600      0.4387000     -0.8464000    
 C    2.702900      -1.436600      0.3785000    
 C    4.149600      0.3763000     -0.2979000    
 C    3.063800       1.022200     -0.8890000    
 C    3.969100     -0.8531000      0.3358000    
 C    6.269000      0.6615000      0.7427000    
 C    7.205800       1.834900      0.9348000    
 H   -6.966200     -9.6400000E-02 -0.8862000    
 H   -5.102700       1.532900      -1.068600    
 H   -5.021800       1.662500      0.6917000    
 H   -4.530200     -0.7810000     -0.8834000    
 H   -6.676700      0.3554000       2.135900    
 H   -8.012700     -0.5049000       1.356100    
 H   -6.382700      -1.164200       1.268200    
 H   -7.544900       2.317200      -1.014200    
 H   -8.724700       1.423400     -4.3000001E-02
 H   -7.505100       2.435500      0.7534000    
 H   -2.731400      0.9030000      0.7514000    
 H   -2.755000      0.8855000      -1.007700    
 H   -2.202400      -1.552300     -0.9959000    
 H   -2.160000      -1.517600      0.7895000    
 H   0.9715000      0.9553000      -1.325800    
 H    2.575000      -2.395400      0.8723000    
 H    3.199200       1.978600      -1.386900    
 H    4.792100      -1.401700      0.7842000    
 H    6.846700     -0.2398000      0.5099000    
 H    5.725800      0.5169000       1.685100    
 H    6.641500       2.747300       1.154900    
 H    7.775900       2.026900      1.9800000E-02
 H    7.906300       1.647000       1.753400    


%chk=000056484-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000056484

0 1
O -0.758232 -0.214902 0.140093
O 5.445807 1.278446 0.225699
O 0.060366 -2.384195 0.394130
N -4.467255 -0.101835 -0.220692
C -6.932373 0.356821 -0.217941
C -5.504916 0.947552 -0.328978
C -7.171589 -0.273237 1.172655
C -7.986387 1.442937 -0.534962
C -3.074420 0.388817 -0.199964
C -2.138661 -0.767493 0.165569
C 1.616394 -0.508651 0.258853
C 0.278080 -1.150580 0.275412
C 1.788503 0.897788 0.125835
C 2.760520 -1.335986 0.382668
C 4.214643 0.619395 0.243146
C 3.074401 1.457674 0.117671
C 4.056514 -0.786303 0.375956
C 6.675732 0.465658 0.358093
C 7.851400 1.437222 0.321176
H -7.024825 -0.445374 -0.983613
H -5.426897 1.532092 -1.281130
H -5.348409 1.667334 0.500315
H -4.602629 -0.830724 -0.936431
H -7.178661 0.510725 1.955101
H -8.143158 -0.800014 1.211871
H -6.366727 -0.988289 1.415523
H -7.853847 1.855952 -1.552892
H -9.010065 1.032030 -0.463574
H -7.910704 2.280893 0.184948
H -2.995654 1.176182 0.572691
H -2.736571 0.842816 -1.163089
H -2.203383 -1.605079 -0.554806
H -2.358874 -1.159578 1.173507
H 0.905954 1.536026 0.031430
H 2.613174 -2.416404 0.484556
H 3.228031 2.536223 0.017580
H 4.922186 -1.447235 0.473498
H 6.724592 -0.261507 -0.477852
H 6.642617 -0.093562 1.315207
H 7.783315 2.163067 1.149160
H 7.866500 1.995690 -0.630088
H 8.802909 0.883512 0.417767


