%chk=000010513.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000010513

0 1
 O   -2.531700       2.127200     -8.4700003E-02
 O   -2.095900       2.218600       2.255300    
 O   8.1000000E-02   2.871300      -1.613500    
 N   -1.267000      -2.681900     -0.7541000    
 N    1.164100       1.178600     -0.4854000    
 C   0.5521000      -1.159500     -0.4042000    
 C  -0.2844000      -2.259100      0.2746000    
 C  -4.1099999E-02  0.2966000     -0.3747000    
 C  -0.8465000      0.5996000      0.9380000    
 C   -1.807700     -0.5725000       1.270000    
 C  -0.9371000      -1.797500       1.572800    
 C   0.6113000      -1.690400      -1.841000    
 C  -0.8024000      -2.206800      -2.066000    
 C    1.931000     -0.9004000      0.1478000    
 C   -2.767600     -0.8978000      0.1323000    
 C   -2.650800      -2.290100     -0.4513000    
 C    2.262500      0.4603000      4.6100002E-02
 C   -1.564200       1.970400      0.9517000    
 C    2.843100      -1.825800      0.6412000    
 C   -3.625700       0.000000     -0.3785000    
 C    1.114400       2.415600      -1.109800    
 C    3.511500      0.9053000      0.4536000    
 C   -3.748000       1.409100      9.5399998E-02
 C    4.097500      -1.378600       1.051000    
 C    4.428000     -2.2500001E-02  0.9590000    
 C    2.373600       3.230200      -1.225400    
 H   0.3331000      -3.138500      0.4930000    
 H  -0.6831000      0.4880000      -1.242500    
 H  -0.1270000      0.6526000       1.769900    
 H   -2.385500     -0.3473000       2.175000    
 H  -0.1727000      -1.558000       2.322400    
 H   -1.540800      -2.604200       2.009000    
 H    1.328200      -2.518000      -1.926200    
 H   0.8928000     -0.9314000      -2.579000    
 H   -1.428000      -1.395800      -2.458500    
 H  -0.8161000      -3.018800      -2.799800    
 H   -3.058900      -3.001700      0.2784000    
 H   -3.278900      -2.413800      -1.343000    
 H  -0.8120000       2.747900      0.7920000    
 H    2.602900      -2.881700      0.7000000    
 H   -4.276100     -0.2919000      -1.199400    
 H    3.806200       1.945100      0.4358000    
 H   -4.496700       1.911400     -0.5274000    
 H   -4.119500       1.464400       1.124400    
 H   -2.089300       3.181500       2.389700    
 H    4.824000      -2.085800       1.441300    
 H    5.407300      0.3144000       1.288900    
 H    3.181700       2.642200      -1.665600    
 H    2.649600       3.631400     -0.2478000    
 H    2.190500       4.079900      -1.891900    


%chk=000010513-Freq.chk
%nprocshared=24
%mem=100GB
#p freq=noraman PBEPBE/SDD

000010513

0 1
O -2.674264 2.187350 -0.009922
O -1.938672 2.244965 2.284853
O 0.119260 2.801914 -1.746132
N -1.276324 -2.654417 -0.822089
N 1.181342 1.213555 -0.429214
C 0.583833 -1.118289 -0.448581
C -0.264393 -2.248273 0.219278
C -0.045415 0.329552 -0.383496
C -0.868211 0.598845 0.909876
C -1.820960 -0.591062 1.251937
C -0.935148 -1.823893 1.536948
C 0.609579 -1.624084 -1.925474
C -0.844006 -2.107310 -2.147512
C 1.963957 -0.896118 0.152108
C -2.828756 -0.938959 0.140496
C -2.686686 -2.340354 -0.445677
C 2.286711 0.488483 0.125400
C -1.544837 1.989354 0.891509
C 2.887029 -1.828040 0.654828
C -3.756567 -0.050047 -0.303410
C 1.188609 2.382497 -1.206926
C 3.514635 0.957195 0.637806
C -3.874327 1.348569 0.259985
C 4.133913 -1.371479 1.154300
C 4.436117 0.008900 1.147346
C 2.507217 3.124176 -1.385540
H 0.415460 -3.103565 0.411251
H -0.664709 0.565263 -1.266003
H -0.148236 0.663154 1.751477
H -2.373326 -0.297443 2.167263
H -0.158661 -1.580950 2.286000
H -1.525650 -2.663581 1.947249
H 1.323505 -2.463926 -2.015106
H 0.910576 -0.837914 -2.639236
H -1.488517 -1.254875 -2.459192
H -0.904833 -2.879734 -2.936465
H -3.031777 -3.097854 0.286043
H -3.320579 -2.458880 -1.342460
H -0.835794 2.756471 0.533594
H 2.651086 -2.898178 0.665468
H -4.440810 -0.335360 -1.114005
H 3.760536 2.020760 0.671560
H -4.696453 1.904432 -0.217946
H -4.047596 1.324892 1.356019
H -2.283203 3.173346 2.336818
H 4.858979 -2.087809 1.554955
H 5.392319 0.359044 1.551807
H 3.347400 2.446208 -1.614147
H 2.766348 3.697749 -0.476569
H 2.371998 3.837518 -2.212173


