%chk=000026746.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000026746

0 1
 O    1.025800     -0.3296000      -1.793100    
 O   -2.593700      -2.613500     -0.6748000    
 N   -1.583400     -0.6423000      -1.388300    
 C    1.195600      0.1459000     -0.4442000    
 C  -0.1528000      0.8608000     -9.0800002E-02
 C   -1.430800     -1.9300001E-02 -8.6900003E-02
 C    2.394700       1.100300     -0.3725000    
 C    1.479500      -1.091600      0.4291000    
 C   -2.707000      0.7035000      0.2840000    
 C    3.405400      0.9519000      -1.291500    
 C    1.099900      -1.056300       1.745800    
 C    2.407800       2.063100      0.6077000    
 C    2.098000      -2.167600     -0.1530000    
 C   -3.090300      0.7596000       1.613000    
 C   -3.464700       1.293300     -0.7133000    
 C   -2.153600      -1.888100      -1.562900    
 C    4.495600       1.819600      -1.226500    
 C    1.356800      -2.176300       2.536400    
 C    3.498100       2.930700      0.6726000    
 C    2.355000      -3.287700      0.6377000    
 C   -4.267000       1.426000       1.955200    
 C   -4.641300       1.959500     -0.3711000    
 C    4.542100       2.808900     -0.2444000    
 C    1.984300      -3.292200       1.982400    
 C   -5.042600       2.026000      0.9632000    
 C   -2.211300      -2.284800      -3.013800    
 H  -0.1217000       1.349700      0.8877000    
 H  -0.3058000       1.674500     -0.8165000    
 H   -1.311200     -0.8381000      0.6310000    
 H   -1.309900     -0.1093000      -2.209500    
 H   0.9320000      0.4431000      -2.376700    
 H    3.399200      0.1840000      -2.057900    
 H   0.6316000     -0.1983000       2.213000    
 H    1.639700       2.174800       1.361700    
 H    2.409800      -2.187100      -1.191700    
 H   -2.491600      0.2978000       2.392700    
 H   -3.170100       1.277700      -1.758100    
 H    5.310100       1.723000      -1.938500    
 H    1.073100      -2.178000       3.584800    
 H    3.538800       3.696100       1.442300    
 H    2.846800      -4.155300      0.2074000    
 H   -4.578800       1.478500       2.994200    
 H   -5.242900       2.431000      -1.142800    
 H    5.392200       3.482700     -0.1921000    
 H    2.186100      -4.163500       2.598400    
 H   -5.958000       2.546100       1.229800    
 H   -2.479600      -3.341500      -3.096200    
 H   -2.964400      -1.680800      -3.527300    
 H   -1.236900      -2.133300      -3.487100    


%chk=000026746-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000026746

0 1
O 1.134043 -0.118123 -1.939828
O -3.186810 -2.271326 -0.840780
N -1.513264 -0.780922 -1.468132
C 1.180900 0.223992 -0.468966
C -0.210002 0.807104 -0.081761
C -1.410608 -0.179171 -0.124991
C 2.327787 1.240682 -0.287701
C 1.458772 -1.075962 0.305683
C -2.677835 0.576832 0.294647
C 3.655676 0.799909 -0.544454
C 1.666673 -1.010198 1.707647
C 2.119385 2.597874 0.063385
C 1.483340 -2.336018 -0.334997
C -3.134985 0.497330 1.631398
C -3.361515 1.419363 -0.615159
C -2.379123 -1.830932 -1.716164
C 4.743348 1.692730 -0.459228
C 1.892252 -2.185104 2.455733
C 3.211021 3.492453 0.156215
C 1.709945 -3.513749 0.414573
C -4.251879 1.250087 2.057105
C -4.481756 2.169968 -0.195650
C 4.524539 3.046153 -0.107366
C 1.912707 -3.444559 1.810850
C -4.928555 2.092121 1.144381
C -2.311311 -2.414507 -3.127235
H -0.160239 1.195809 0.951919
H -0.431194 1.666134 -0.744360
H -1.243496 -0.989344 0.613491
H -0.734249 -0.581621 -2.109430
H 1.641321 0.577164 -2.428157
H 3.827962 -0.252898 -0.795589
H 1.669285 -0.036552 2.213369
H 1.111855 2.969610 0.271896
H 1.332130 -2.383343 -1.416593
H -2.628605 -0.176546 2.334057
H -3.028964 1.462235 -1.659436
H 5.759455 1.334678 -0.658507
H 2.055126 -2.119295 3.537384
H 3.032918 4.537138 0.434539
H 1.722759 -4.484751 -0.093242
H -4.602485 1.170449 3.092514
H -5.010304 2.810590 -0.911289
H 5.368260 3.741256 -0.034944
H 2.085322 -4.358320 2.390246
H -5.800344 2.671026 1.470092
H -2.208049 -3.510804 -3.058823
H -3.262164 -2.207696 -3.650125
H -1.480445 -2.007346 -3.729617


