%chk=000162797.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162797

0 1
 O   -6.038500      -1.513200      0.6694000    
 O   0.2462000      -1.237000       1.082100    
 O    4.641100     -0.5394000     -0.4051000    
 N  -0.1760000       1.668500      0.5085000    
 N    2.452300     -0.9122000      0.3413000    
 N    3.182700       1.273600     -0.4037000    
 N    1.427400       2.995000     -0.2913000    
 C   -1.476000       1.272200      0.9946000    
 C   -2.427200      0.7885000     -0.1031000    
 C   -3.803200      0.3810000      0.4322000    
 C   0.9322000      0.8840000      0.3642000    
 C   -4.744800     -1.9400001E-02 -0.7096000    
 C    1.898000       1.720000     -0.1262000    
 C    1.125700     -0.5027000      0.6402000    
 C   -6.141300     -0.3904000     -0.2017000    
 C   0.1717000       2.930500      0.1010000    
 C    2.774100      -2.314900      0.5833000    
 C    3.514100     -8.5600004E-02 -0.1764000    
 C    2.507900      -3.190200     -0.6354000    
 C    4.183700       2.196000     -0.9251000    
 C   -7.070500     -0.7458000      -1.354600    
 C    2.820300      -4.658600     -0.3846000    
 H   -1.908900       2.145300       1.499000    
 H   -1.342200      0.5091000       1.767400    
 H   -1.975600     -6.2100001E-02 -0.6292000    
 H   -2.547300       1.584000     -0.8498000    
 H   -4.240300       1.218400      0.9892000    
 H   -3.684600     -0.4509000       1.136100    
 H   -4.306300     -0.8758000      -1.237600    
 H   -4.822800      0.8064000      -1.427100    
 H   -6.564200      0.4438000      0.3694000    
 H    2.181800      -2.678800       1.431400    
 H    3.826600      -2.402100      0.8773000    
 H  -0.5270000       3.756200      0.1108000    
 H    1.457800      -3.096500     -0.9374000    
 H    3.106700      -2.837400      -1.483700    
 H    5.142500       1.698800      -1.092800    
 H    4.328100       3.007300     -0.2050000    
 H    3.827800       2.605800      -1.875400    
 H   -7.180100      9.1799997E-02  -2.050100    
 H   -8.062700      -1.016200     -0.9774000    
 H   -6.696400      -1.615400      -1.906100    
 H    2.206600      -5.054700      0.4305000    
 H    2.616000      -5.249000      -1.283200    
 H    3.873700      -4.793900     -0.1198000    
 H   -6.933000      -1.717300      0.9918000    


%chk=000162797-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162797

0 1
O -6.005019 -1.277823 0.973891
O 0.143507 -1.225784 1.069514
O 4.572952 -0.633648 -0.448457
N -0.168033 1.862048 0.631874
N 2.364609 -0.895884 0.316262
N 3.210406 1.270993 -0.339175
N 1.580427 3.124833 -0.143958
C -1.535846 1.497646 1.067309
C -2.356860 0.811557 -0.045953
C -3.811395 0.554825 0.404804
C 0.912057 0.986007 0.432762
C -4.634909 -0.182718 -0.672597
C 1.962242 1.794388 -0.037016
C 1.043447 -0.432826 0.646035
C -6.089226 -0.442236 -0.246991
C 0.283385 3.119214 0.269045
C 2.625375 -2.354145 0.475949
C 3.452313 -0.113955 -0.176628
C 2.358106 -3.143851 -0.824332
C 4.287780 2.150401 -0.833326
C -6.913286 -1.146301 -1.339680
C 2.628816 -4.649866 -0.625030
H -2.031283 2.430090 1.396317
H -1.452697 0.819948 1.934221
H -1.870405 -0.148800 -0.299300
H -2.346080 1.446116 -0.955202
H -4.304131 1.521374 0.645133
H -3.826130 -0.050950 1.329851
H -4.160299 -1.158108 -0.897841
H -4.643682 0.405667 -1.612533
H -6.570419 0.529886 0.009755
H 1.958747 -2.710019 1.279332
H 3.678422 -2.471322 0.780751
H -0.347869 4.003224 0.320550
H 1.307090 -2.986564 -1.131913
H 3.007977 -2.746876 -1.626322
H 5.175272 1.524434 -1.004617
H 4.508413 2.932003 -0.087276
H 3.976585 2.638665 -1.771941
H -6.950811 -0.536672 -2.261607
H -7.956711 -1.318262 -1.011235
H -6.463219 -2.124956 -1.585900
H 1.978771 -5.071801 0.164268
H 2.437089 -5.212693 -1.556142
H 3.680426 -4.830207 -0.333203
H -6.919804 -1.540351 1.248851


