%chk=000013306.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000013306

0 1
 O   0.8580000     -0.3068000      -1.956800    
 O   -2.613200       2.469300     -0.5586000    
 O    1.030800       1.873800       2.153000    
 N   0.9477000      0.6426000      0.1718000    
 N  -0.7894000       2.121600      0.7960000    
 C   -1.976600     -0.5580000     -0.6977000    
 C   -1.149500      0.6573000      -1.113000    
 C    2.275700      0.1280000      0.4039000    
 C   -1.743000     -0.8926000      0.7818000    
 C   -3.467000     -0.3197000     -0.9751000    
 C   -2.599900      -2.072300       1.235100    
 C   -4.321300      -1.500400     -0.5187000    
 C    2.263900      -1.402300      0.4479000    
 C    3.245700      0.6472000     -0.6602000    
 C   -4.079700      -1.835500      0.9498000    
 C   0.3155000      0.2968000      -1.028800    
 C    3.668100      -1.969800      0.6386000    
 C    4.648400      7.5999998E-02 -0.4694000    
 C    4.633900      -1.449200     -0.4220000    
 C   -1.587000       1.842900     -0.2970000    
 C   0.4388000       1.551100       1.119500    
 H   -1.657200      -1.424900      -1.293600    
 H   -1.344500      0.9110000      -2.163800    
 H    2.648300      0.4722000       1.376500    
 H   -1.996900     -5.0999999E-02   1.434000    
 H  -0.7023000      -1.163700      0.9726000    
 H   -3.629200     -0.1443000      -2.045000    
 H   -3.851500      0.5527000     -0.4408000    
 H   -2.454700      -2.244300       2.307700    
 H   -2.270000      -2.982400      0.7189000    
 H   -4.089900      -2.377200      -1.136100    
 H   -5.381700      -1.271900     -0.6752000    
 H    1.842700      -1.845600     -0.4600000    
 H    1.628200      -1.742800       1.274500    
 H    3.294700       1.742400     -0.6082000    
 H    2.943000      0.4115000      -1.682800    
 H   -4.655300      -2.726600       1.224200    
 H   -4.445300      -1.013100       1.577000    
 H    3.632700      -3.064500      0.6007000    
 H    4.039300      -1.697800       1.634500    
 H    5.076400      0.4650000      0.4628000    
 H    5.300000      0.4144000      -1.283100    
 H    5.643600      -1.821600     -0.2160000    
 H    4.342200      -1.841400      -1.404200    
 H   -1.121100       2.851700       1.420300    


%chk=000013306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000013306

0 1
O 0.658107 -0.523482 -1.803397
O -2.616800 2.597395 -0.188853
O 1.403644 2.069133 2.035606
N 1.061800 0.684410 0.156437
N -0.607697 2.243886 0.902149
C -2.146923 -0.537715 -0.557081
C -1.230206 0.705373 -0.923424
C 2.462749 0.137507 0.301203
C -2.063697 -0.929674 0.940273
C -3.616309 -0.316755 -0.992689
C -2.919212 -2.187071 1.231109
C -4.471556 -1.573347 -0.695484
C 2.470628 -1.398197 0.491516
C 3.381396 0.592821 -0.859239
C -4.388411 -1.978461 0.795314
C 0.233253 0.258080 -0.909041
C 3.921575 -1.884959 0.731214
C 4.824686 0.087443 -0.614499
C 4.859596 -1.447492 -0.419453
C -1.561140 1.919827 -0.076034
C 0.667496 1.674332 1.093661
H -1.732539 -1.372053 -1.161237
H -1.472152 0.957674 -1.972626
H 2.833995 0.601658 1.233535
H -2.438192 -0.091546 1.563658
H -1.012353 -1.115228 1.238054
H -3.652902 -0.080687 -2.074682
H -4.037057 0.558922 -0.463459
H -2.867042 -2.433376 2.309065
H -2.493818 -3.052998 0.682925
H -4.116610 -2.417999 -1.321951
H -5.523028 -1.381403 -0.983167
H 2.058675 -1.889942 -0.407343
H 1.828603 -1.669081 1.352443
H 3.369903 1.697684 -0.928556
H 2.999758 0.189385 -1.813916
H -4.973984 -2.900691 0.974436
H -4.844555 -1.181109 1.417622
H 3.927781 -2.986874 0.834290
H 4.300396 -1.471086 1.688817
H 5.243093 0.579676 0.287915
H 5.467343 0.381657 -1.466080
H 5.894812 -1.781273 -0.213533
H 4.540270 -1.942878 -1.359028
H -0.831977 3.016311 1.538527


