%chk=000156185.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156185

0 1
 O    4.561500      0.1183000      -1.022800    
 O   -1.039700      -2.394900     -0.7722000    
 O    1.171300      -3.856200     -0.5516000    
 O   -2.647600      -1.252000      0.5614000    
 O   -4.758900      0.3471000      0.2606000    
 N    2.846200       2.309600      9.3199998E-02
 C    1.486600       1.760900      0.3326000    
 C    1.395900      0.2540000      7.0699997E-02
 C   0.4275000       2.481600     -0.5327000    
 C    2.562400     -0.5363000      7.6499999E-02
 C    3.848300       1.509900      0.8207000    
 C    3.917400      9.2699997E-02  0.2501000    
 C   0.1226000     -0.3452000     -0.1124000    
 C  -0.9503000       1.894600     -0.3243000    
 C   -1.089900      0.5053000     -0.1190000    
 C    2.466900      -1.918200     -0.1228000    
 C   6.9200002E-02  -1.736400     -0.3137000    
 C    2.961800       3.712100      0.5079000    
 C    1.227100      -2.514000     -0.3164000    
 C   -2.388600      3.9999999E-04  7.3299997E-02
 C   -2.078000       2.728200     -0.3788000    
 C   -3.506700      0.8385000      3.5200000E-02
 C   -3.352200       2.200300     -0.1965000    
 C    1.005200      -4.704800      0.5818000    
 C   -2.773400      -1.376800       1.973500    
 C   -5.484500     -0.1187000     -0.8745000    
 H    1.229200       1.898500       1.394400    
 H   0.6764000       2.405700      -1.599600    
 H   0.3894000       3.545600     -0.2751000    
 H    3.608100       1.478100       1.892000    
 H    4.839300       1.969200      0.7136000    
 H    4.530400     -0.5240000      0.9177000    
 H    3.367200      -2.528300     -0.1382000    
 H    3.991600       4.067500      0.3841000    
 H    2.674600       3.858500       1.555200    
 H    2.352000       4.367300     -0.1207000    
 H   -1.966100       3.794800     -0.5566000    
 H    4.050100      0.7066000      -1.604900    
 H   -4.216600       2.857700     -0.2256000    
 H  -0.8293000      -3.331600     -0.9258000    
 H   0.9477000      -5.738700      0.2306000    
 H   7.9599999E-02  -4.463900       1.114200    
 H    1.861500      -4.611500       1.257300    
 H   -2.790600      -2.442300       2.219800    
 H   -3.706400     -0.9281000       2.326900    
 H   -1.920500     -0.9194000       2.486100    
 H   -5.646600      0.6963000      -1.587000    
 H   -6.457000     -0.4841000     -0.5336000    
 H   -4.951900     -0.9424000      -1.360400    


%chk=000156185-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000156185

0 1
O 4.605572 0.031211 -0.579334
O -1.272183 -2.310731 -0.828202
O 0.765207 -3.935835 -0.466015
O -2.734778 -0.944424 0.970904
O -4.905375 0.833045 0.296309
N 2.811535 2.158810 0.257749
C 1.389428 1.717611 0.303047
C 1.278372 0.190024 0.239538
C 0.544584 2.283755 -0.870864
C 2.410227 -0.642287 0.363531
C 3.625621 1.373910 1.225818
C 3.776815 -0.040273 0.648020
C -0.015440 -0.360156 -0.044338
C -0.907029 1.880864 -0.664382
C -1.169299 0.566277 -0.165404
C 2.285440 -2.044662 0.183383
C -0.105693 -1.745381 -0.320314
C 2.975968 3.617392 0.440679
C 1.043660 -2.580321 -0.174782
C -2.493676 0.245559 0.246739
C -1.966907 2.789515 -0.864835
C -3.565334 1.142574 -0.040376
C -3.300251 2.409693 -0.595249
C 1.882297 -4.879221 -0.419885
C -3.218531 -0.709623 2.353080
C -5.434199 -0.397042 -0.341418
H 0.917162 2.076226 1.258595
H 0.958913 1.878807 -1.816065
H 0.613167 3.383932 -0.918434
H 3.165461 1.344799 2.244322
H 4.623555 1.838519 1.304899
H 4.360792 -0.686427 1.326413
H 3.176267 -2.674168 0.273844
H 4.052619 3.859700 0.447769
H 2.527063 3.989545 1.394535
H 2.515795 4.170711 -0.394592
H -1.751715 3.795942 -1.241414
H 4.189129 0.762545 -1.115964
H -4.142023 3.084352 -0.779556
H -1.116814 -3.288319 -0.931825
H 1.456264 -5.854679 -0.696963
H 2.311249 -4.933374 0.599047
H 2.670614 -4.592295 -1.141639
H -3.364437 -1.713865 2.780037
H -4.169494 -0.146590 2.352391
H -2.454835 -0.160331 2.935914
H -5.479455 -0.261950 -1.438631
H -6.449752 -0.522082 0.064785
H -4.803354 -1.269782 -0.096666


