%chk=000030641.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000030641

0 1
 O  -8.8299997E-02   1.358200      1.9300001E-02
 O    1.795600       2.242900     -0.9644000    
 N   -2.813500      0.8552000     -0.6315000    
 C   -4.219700      0.6776000     -0.2750000    
 C   -4.691600     -0.7183000     -0.6965000    
 C   -4.406500      0.8928000       1.230900    
 C   -6.137300     -0.9693000     -0.2710000    
 C   -5.852700      0.6404000       1.653800    
 C   -6.330400     -0.7444000       1.226000    
 C   -2.332500       2.161400     -0.1819000    
 C   -2.629500      0.7128000      -2.075500    
 C  -0.8823000       2.368600     -0.5888000    
 C    1.984400      0.3039000      0.5123000    
 C    1.256500       1.405900     -0.2513000    
 C    3.500400      0.4044000      0.4008000    
 C    1.481500      -1.098800      0.1977000    
 C    4.136500     -0.2508000     -0.6329000    
 C    1.556700      -2.068300       1.176300    
 C    4.188900       1.147700       1.336600    
 C   0.9661000      -1.356200      -1.055600    
 C    5.524600     -0.1587000     -0.7353000    
 C    1.096000      -3.353000      0.8884000    
 C    5.577000       1.239900       1.234100    
 C   0.5052000      -2.641000      -1.343400    
 C    6.244700      0.5867000      0.1981000    
 C   0.5702000      -3.639300     -0.3713000    
 H   -4.836000       1.421000     -0.8023000    
 H   -4.678100     -0.8549000      -1.781700    
 H   -4.045700      -1.490700     -0.2587000    
 H   -3.741600      0.2313000       1.801600    
 H   -4.192500       1.922700       1.533900    
 H   -6.425300      -1.994900     -0.5286000    
 H   -6.804400     -0.3004000     -0.8289000    
 H   -6.503000       1.403600       1.208300    
 H   -5.942200      0.7402000       2.741600    
 H   -7.388600     -0.8656000       1.483700    
 H   -5.775900      -1.509200       1.783700    
 H   -2.327900       2.219800      0.9108000    
 H   -2.945500       2.981500     -0.5756000    
 H   -1.576600      0.7510000      -2.369100    
 H   -2.921300     -0.2736000      -2.444600    
 H   -3.178200       1.472600      -2.644000    
 H  -0.5592000       3.337800     -0.1860000    
 H  -0.7206000       2.417200      -1.670000    
 H    1.726600      0.4974000       1.566200    
 H    3.610400     -0.8192000      -1.390900    
 H    1.965200      -1.854200       2.159300    
 H    3.677800       1.662000       2.144800    
 H   0.9179000     -0.6033000      -1.835800    
 H    6.044500     -0.6625000      -1.544900    
 H    1.146900      -4.130400       1.645100    
 H    6.137800       1.821100       1.960200    
 H   9.8700002E-02  -2.864900      -2.325300    
 H    7.325300      0.6599000      0.1174000    
 H   0.2120000      -4.639800     -0.5957000    


%chk=000030641-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000030641

0 1
O 0.047709 2.194484 0.451604
O 0.711972 1.260433 -1.585041
N -2.596979 1.542833 -0.866240
C -3.809022 0.762156 -0.439485
C -3.617200 -0.732647 -0.822523
C -4.116847 0.858390 1.076545
C -4.840559 -1.599925 -0.446968
C -5.336988 -0.013571 1.467572
C -5.151062 -1.492670 1.062387
C -2.281721 2.779231 -0.130805
C -2.548797 1.754526 -2.329895
C -0.804143 3.192752 -0.252436
C 1.413661 0.229959 0.570380
C 0.694596 1.240593 -0.332931
C 2.935356 0.337781 0.352472
C 0.883764 -1.202787 0.389343
C 3.551018 -0.148626 -0.827701
C 0.892152 -2.063800 1.517017
C 3.738138 0.953921 1.344034
C 0.424985 -1.708941 -0.852747
C 4.945515 -0.021614 -1.008074
C 0.457702 -3.402881 1.409612
C 5.134880 1.079154 1.165621
C -0.012474 -3.048837 -0.959777
C 5.743203 0.590882 -0.012828
C 0.003004 -3.902044 0.166822
H -4.715417 1.145427 -0.980932
H -3.415557 -0.832011 -1.905473
H -2.713998 -1.101176 -0.298032
H -3.223708 0.526079 1.644977
H -4.330247 1.903694 1.371391
H -4.650506 -2.653466 -0.729337
H -5.726988 -1.267336 -1.027267
H -6.244326 0.387337 0.969066
H -5.510427 0.070250 2.558152
H -6.056973 -2.076469 1.317242
H -4.309621 -1.928777 1.638948
H -2.483483 2.633168 0.941013
H -2.895662 3.659073 -0.468281
H -1.523400 2.007171 -2.649090
H -2.826507 0.828819 -2.857846
H -3.244095 2.564621 -2.667290
H -0.630832 4.141286 0.283161
H -0.461207 3.280082 -1.296963
H 1.200964 0.543435 1.606532
H 2.940513 -0.622561 -1.602803
H 1.247654 -1.684129 2.483116
H 3.268045 1.340114 2.257126
H 0.395437 -1.050255 -1.726844
H 5.411247 -0.400655 -1.924881
H 0.472458 -4.053282 2.291644
H 5.743795 1.555886 1.942158
H -0.367934 -3.424992 -1.926031
H 6.825663 0.686138 -0.154758
H -0.336251 -4.940422 0.079744


