%chk=000149590.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000149590

0 1
 O   -4.783900      -2.022800     -0.7641000    
 O   -6.842800     -8.8699996E-02  0.6979000    
 O   -6.417700       1.888800      -1.405700    
 O   0.2179000      -2.163700       2.173600    
 O  -0.7545000      -1.830100      0.2340000    
 N   -3.304600      0.3066000     -0.1902000    
 N   0.8320000      0.5551000       1.092000    
 N    4.461900     -0.2068000     -0.8590000    
 N   0.2658000      -2.034600      0.9296000    
 C   -4.735200      0.3916000     -0.4480000    
 C   -2.868900       1.385600      0.6880000    
 C   -5.105600     -0.7805000      -1.379100    
 C   -5.493500      0.3170000      0.8950000    
 C   -5.033800       1.757300      -1.102200    
 C   -1.527200       1.072800       1.357500    
 C  -0.3590000      0.8942000      0.3884000    
 C    2.055200      0.2652000      0.4287000    
 C    2.388700      -1.035400      3.7500001E-02
 C    2.926300       1.329600      0.1755000    
 C    3.619200      -1.228500     -0.6127000    
 C    4.135800       1.044100     -0.4801000    
 C    1.532400      -2.123800      0.2794000    
 C    2.616900       2.646500      0.5576000    
 C    3.957000      -2.521100      -1.004400    
 C    5.007300       2.099500     -0.7352000    
 C    1.893400      -3.406200     -0.1225000    
 C    3.108400      -3.605000     -0.7657000    
 C    3.505300       3.684000      0.2910000    
 C    4.703000       3.409500     -0.3568000    
 H   -3.089800     -0.5933000      0.2397000    
 H   -3.548000       1.607300       1.513500    
 H   -2.735300       2.308100      0.1112000    
 H   -4.548700     -0.7162000      -2.321800    
 H   -6.172400     -0.7845000      -1.626500    
 H   -5.040800     -0.4240000       1.565100    
 H   -5.533500       1.277100       1.419500    
 H   -4.788500       2.605400     -0.4556000    
 H   -4.474400       1.868900      -2.038700    
 H   -1.637300      0.1759000       1.980600    
 H   -1.288700       1.889300       2.052600    
 H  -0.2047000       1.868300     -9.6199997E-02
 H  -0.5843000      0.2355000     -0.4510000    
 H   0.9597000      0.9975000       1.998700    
 H   -5.027400      -2.723600      -1.392600    
 H   -7.260900     -0.1303000       1.574900    
 H   -6.536800       2.755600      -1.830200    
 H    1.695000       2.905300       1.071000    
 H    4.903700      -2.702800      -1.510100    
 H    5.952200       1.910000      -1.241500    
 H    1.244300      -4.260200      5.5700000E-02
 H    3.400100      -4.601700      -1.083600    
 H    3.264800       4.700100      0.5883000    
 H    5.403600       4.211700     -0.5694000    


%chk=000149590-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000149590

0 1
O -3.989461 -2.309320 1.167657
O -7.112299 -0.186136 0.400692
O -3.722305 0.273448 -2.147372
O -0.014892 -0.984055 1.546887
O -1.319992 -2.254066 0.167905
N -3.371175 0.276533 0.521341
N 0.718441 1.593665 0.530185
N 4.125429 0.028764 -1.415011
N -0.257478 -1.524616 0.397173
C -4.711298 -0.182173 0.061771
C -3.129867 1.694574 0.869448
C -4.622898 -1.738711 -0.029861
C -5.843125 0.216555 1.033646
C -4.952312 0.401194 -1.362040
C -1.641823 1.871178 1.244239
C -0.684887 1.561700 0.072863
C 1.806611 0.870520 0.108673
C 1.767863 -0.364481 -0.644171
C 3.127084 1.424668 0.380953
C 2.936527 -0.640366 -1.489000
C 4.247167 0.971930 -0.422071
C 0.715305 -1.357794 -0.696990
C 3.362191 2.427771 1.377004
C 2.855699 -1.670336 -2.493339
C 5.539494 1.564911 -0.215406
C 0.680157 -2.368928 -1.668305
C 1.734440 -2.486958 -2.615653
C 4.635300 2.970018 1.571816
C 5.733136 2.542041 0.758811
H -3.030003 -0.365714 1.253377
H -3.746083 2.054153 1.724333
H -3.386292 2.327404 -0.002636
H -4.063990 -2.013582 -0.944775
H -5.645792 -2.145594 -0.078912
H -5.688377 -0.310603 1.998786
H -5.837922 1.313966 1.205190
H -5.754204 -0.153358 -1.875865
H -5.261226 1.466782 -1.292459
H -1.393316 1.193982 2.084253
H -1.483533 2.910332 1.598548
H -0.818618 2.314751 -0.733375
H -0.936296 0.588077 -0.363478
H 0.945032 2.441591 1.054851
H -3.023137 -2.468608 0.980291
H -7.852361 -0.088572 1.049012
H -3.008030 0.198468 -1.440969
H 2.558210 2.745558 2.053677
H 3.734922 -1.788962 -3.133538
H 6.356519 1.204803 -0.847648
H -0.137109 -3.093438 -1.636756
H 1.689243 -3.266277 -3.381911
H 4.797155 3.714999 2.357897
H 6.725872 2.977911 0.913862


