%chk=000159229.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000159229

0 1
 O   0.4589000      0.3634000     -0.6440000    
 O    2.010900      0.5987000      -2.338800    
 O   -3.528100      -3.501400     -0.1175000    
 O   -4.045300       3.488300      0.3759000    
 O   -5.269700      -2.596400      0.8655000    
 O   -5.625900       2.209500       1.203800    
 N   -4.172000      -2.495000      0.2661000    
 N   -4.531100       2.354900      0.6082000    
 C    3.228800     -0.8062000      0.4833000    
 C    4.094700      6.3900001E-02 -0.3620000    
 C    2.698500      0.4893000     -5.7200000E-02
 C    2.767600      -2.088500     -0.1240000    
 C    3.454300     -0.8924000       1.956300    
 C    5.198100      0.8219000      0.2582000    
 C    1.715800      0.4932000      -1.156100    
 C    6.455600      0.4016000      0.4949000    
 C    6.956800     -0.9717000      0.1478000    
 C    7.469200       1.305000       1.140400    
 C  -0.5995000      0.3527000      -1.607400    
 C   -1.910600      0.2047000     -0.8929000    
 C   -2.601200       1.338500     -0.4805000    
 C   -2.423200      -1.064800     -0.6497000    
 C   -3.642000      -1.202000      1.4600000E-02
 C   -3.820100       1.201500      0.1838000    
 C   -4.340500     -6.8800002E-02  0.4313000    
 H    4.315400     -0.2626000      -1.373500    
 H    2.559800       1.301400      0.6519000    
 H    1.775500      -2.358200      0.2542000    
 H    3.457200      -2.901100      0.1305000    
 H    2.708100      -2.051100      -1.217200    
 H    2.562800      -1.288900       2.455200    
 H    3.670500      7.7500001E-02   2.417400    
 H    4.289800      -1.564500       2.179900    
 H    4.952500       1.844700      0.5411000    
 H    6.192200      -1.598400     -0.3204000    
 H    7.297800      -1.487800       1.051300    
 H    7.798100     -0.9013000     -0.5495000    
 H    7.057700       2.292300       1.375300    
 H    8.325200       1.451600      0.4737000    
 H    7.828400      0.8638000       2.075900    
 H  -0.5844000       1.285700      -2.184600    
 H  -0.4530000     -0.4787000      -2.308300    
 H   -2.173400       2.317500     -0.6830000    
 H   -1.858300      -1.932400     -0.9822000    
 H   -5.290800     -0.1758000      0.9492000    


%chk=000159229-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000159229

0 1
O 0.629623 0.387601 -0.313712
O 1.948215 -0.668155 -1.936499
O -3.034762 -2.679572 1.295712
O -4.488971 3.754635 -1.471341
O -5.111704 -1.775392 1.564317
O -6.117168 2.612185 -0.354143
N -3.901102 -1.740582 1.125790
N -4.919686 2.733788 -0.811956
C 3.416380 -1.970751 0.607228
C 4.200392 -0.733470 0.157268
C 2.651182 -0.615643 0.416976
C 3.220898 -3.096800 -0.405671
C 3.531162 -2.457900 2.051722
C 5.155036 0.008133 1.021284
C 1.773585 -0.345943 -0.734943
C 6.180630 0.809136 0.601502
C 6.513465 1.098726 -0.851436
C 7.093517 1.487289 1.609350
C -0.320051 0.772375 -1.382258
C -1.728332 0.676942 -0.835377
C -2.646553 1.728476 -1.058080
C -2.148023 -0.463890 -0.112714
C -3.471626 -0.531895 0.365052
C -3.963546 1.616866 -0.565852
C -4.410534 0.494452 0.153929
H 4.427613 -0.734120 -0.915404
H 2.345202 -0.115132 1.339429
H 2.344574 -3.717340 -0.139422
H 4.111607 -3.753123 -0.407383
H 3.070438 -2.712232 -1.427914
H 2.665268 -3.094454 2.310939
H 3.569164 -1.631844 2.782685
H 4.448375 -3.063815 2.177862
H 5.015670 -0.107424 2.105979
H 5.813788 0.634402 -1.564635
H 7.534990 0.745471 -1.096319
H 6.506818 2.191031 -1.036901
H 6.812154 1.245912 2.649095
H 7.066472 2.588880 1.491425
H 8.147998 1.180330 1.459441
H -0.084906 1.804743 -1.697173
H -0.165871 0.100553 -2.248977
H -2.359823 2.632721 -1.603743
H -1.457236 -1.286537 0.089843
H -5.433222 0.424964 0.531927


