%chk=000051634.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051634

0 1
 O    3.055300     -0.6860000      0.6222000    
 O    2.267300       2.001700       1.301600    
 O   0.5493000       3.146500     -0.7261000    
 O    2.221100      -2.993000     -0.1639000    
 N  -0.3964000     -0.4629000     -0.8366000    
 C   0.9444000      -1.015700     -0.5505000    
 C    1.709300     -0.2145000      0.5259000    
 C    1.778000       1.274900      0.1726000    
 C   0.4025000       1.830000     -0.1926000    
 C  -0.2993000      0.9489000      -1.228500    
 C   -1.372700     -0.6562000      0.2351000    
 C   0.8944000      -2.515300     -0.2230000    
 C   -2.763500     -0.2288000     -0.2306000    
 C   -3.804500     -0.4429000      0.8689000    
 C   -5.185400      1.3200000E-02  0.4255000    
 H    1.532800     -0.9392000      -1.477700    
 H    1.255400     -0.3423000       1.516400    
 H    2.496300       1.444900     -0.6392000    
 H  -0.2098000       1.933900      0.7109000    
 H   -1.248800       1.392500      -1.540300    
 H   0.2844000      0.9938000      -2.160600    
 H   -1.097800     -0.1222000       1.151600    
 H   -1.447400      -1.716600      0.4974000    
 H   0.3508000      -3.080400     -0.9873000    
 H   0.4374000      -2.711800      0.7510000    
 H   -3.052000     -0.7910000      -1.127500    
 H   -2.802300      0.8350000     -0.4809000    
 H    3.029300      -1.572400       1.019900    
 H    2.288200       2.942300       1.055200    
 H  -0.3406000       3.479700     -0.9325000    
 H   -3.516300      0.1118000       1.769600    
 H   -3.846200      -1.504000       1.140600    
 H    2.614400      -2.892500      -1.047500    
 H   -5.914300     -0.1547000       1.224500    
 H   -5.188100       1.080600      0.1829000    
 H   -5.516500     -0.5414000     -0.4584000    


%chk=000051634-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000051634

0 1
O 3.183296 -0.683759 0.541043
O 2.456971 2.051817 1.298830
O 0.859340 3.258396 -0.761328
O 2.103250 -3.154186 -0.145528
N -0.398820 -0.349154 -0.761759
C 0.934973 -0.960567 -0.492295
C 1.812145 -0.166695 0.538331
C 1.900737 1.318311 0.157558
C 0.534898 1.917923 -0.221464
C -0.208396 1.038172 -1.256203
C -1.432636 -0.500428 0.303838
C 0.798987 -2.450840 -0.097160
C -2.860335 -0.201980 -0.202656
C -3.936713 -0.583326 0.840398
C -5.368395 -0.250808 0.368366
H 1.490516 -0.929246 -1.457313
H 1.360340 -0.249381 1.552641
H 2.568242 1.406052 -0.728148
H -0.072915 2.027005 0.701670
H -1.187769 1.479996 -1.512107
H 0.389501 1.006048 -2.188272
H -1.231676 0.122680 1.209336
H -1.416017 -1.552685 0.640577
H 0.061801 -2.944121 -0.761039
H 0.485184 -2.575193 0.952442
H -3.024213 -0.765463 -1.142040
H -2.973546 0.872882 -0.449419
H 3.123541 -1.681750 0.566491
H 2.534574 2.999565 1.015353
H 0.030450 3.793068 -0.841944
H -3.729911 -0.056274 1.794523
H -3.863158 -1.667691 1.061793
H 2.397244 -3.231210 -1.088543
H -6.120003 -0.538877 1.125810
H -5.481674 0.832769 0.175597
H -5.611112 -0.785148 -0.569277


