%chk=000156675.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000156675

0 1
 O  -0.7860000      -2.138800       1.312500    
 O   -1.483100      -2.872000     -0.7644000    
 O    6.364000     -0.3918000     -0.6834000    
 N   -1.779800       1.759200      0.1726000    
 N    1.503500     -0.8622000     -0.8059000    
 C   -1.943800      0.3272000      0.4741000    
 C  -0.9680000     -0.5361000     -0.3971000    
 C   -2.377700      0.7979000      -2.021800    
 C   -3.424300     -2.1000000E-02  0.1080000    
 C   -1.345000     -0.3400000      -1.891600    
 C   -3.692900      0.3530000      -1.364700    
 C   -1.836200       2.031800      -1.271000    
 C   0.4894000     -0.1986000     -0.1526000    
 C  -0.7411000       2.498900      0.8866000    
 C   -4.435300      0.6511000       1.041600    
 C   -1.117700      -1.987900     -1.4000000E-03
 C    1.082600      0.7512000      0.6674000    
 C   0.3624000       1.689100       1.578900    
 C    2.500700      0.6474000      0.4896000    
 C   -5.848300      0.2039000      0.7308000    
 C    2.729700     -0.3677000     -0.4376000    
 C    3.615200       1.321600       1.033200    
 C    4.012500     -0.7431000     -0.8532000    
 C  -0.8841000      -3.472500       1.822200    
 C    4.905000      0.9585000      0.6286000    
 C    5.098300     -5.9099998E-02 -0.3016000    
 H   -1.822300      0.1360000       1.546800    
 H   -2.544200       1.036800      -3.077900    
 H   -3.561700      -1.105100      0.2149000    
 H   -1.762200      -1.238100      -2.360000    
 H  -0.4673000     -7.3899999E-02  -2.494800    
 H   -4.418800       1.169000      -1.458600    
 H   -4.112200     -0.5095000      -1.896800    
 H  -0.8478000       2.280000      -1.678600    
 H   -2.488800       2.895100      -1.443400    
 H   -1.246400       3.087100       1.663100    
 H  -0.2711000       3.243500      0.2302000    
 H   -4.380600       1.743300      0.9683000    
 H   -4.201700      0.3889000       2.080500    
 H  -4.9199998E-02   1.122200       2.423000    
 H    1.071600       2.398600       2.022200    
 H    1.364100      -1.608800      -1.472600    
 H   -6.187200      0.5369000     -0.2541000    
 H   -5.937800     -0.8864000      0.7742000    
 H   -6.540800      0.6222000       1.469000    
 H    3.484800       2.118300       1.760100    
 H    4.157200      -1.537600      -1.578300    
 H  -0.2030000      -4.135600       1.280400    
 H   -1.915200      -3.831000       1.747300    
 H  -0.5937000      -3.455600       2.876000    
 H    5.755100       1.486700       1.053800    
 H    6.996400      0.1758000     -0.2100000    


%chk=000156675-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000156675

0 1
O -1.361567 -2.239217 1.356200
O -0.702014 -3.018152 -0.729580
O 6.426420 -0.341966 -0.798833
N -1.701502 1.767205 0.109915
N 1.519785 -0.852051 -0.844322
C -1.935749 0.349067 0.444522
C -0.952659 -0.572156 -0.380393
C -2.318693 0.792241 -2.051984
C -3.406181 -0.023011 0.088794
C -1.358012 -0.415749 -1.901858
C -3.674593 0.465530 -1.374133
C -1.700712 2.027000 -1.351628
C 0.498092 -0.166255 -0.145183
C -0.774512 2.564440 0.937782
C -4.399911 0.565035 1.115536
C -1.008582 -2.057675 0.021944
C 1.082777 0.808307 0.673052
C 0.370200 1.751384 1.613616
C 2.519232 0.723083 0.462293
C -5.867101 0.160647 0.855418
C 2.762199 -0.333821 -0.488527
C 3.630310 1.429585 0.988021
C 4.056631 -0.697720 -0.913741
C -1.310892 -3.637602 1.851544
C 4.930129 1.082142 0.573599
C 5.132462 0.027114 -0.367475
H -1.771536 0.195255 1.522771
H -2.464288 1.016602 -3.125431
H -3.493466 -1.129358 0.131783
H -1.846076 -1.338335 -2.265125
H -0.455868 -0.259158 -2.520067
H -4.301939 1.378124 -1.359360
H -4.222137 -0.299338 -1.956151
H -0.668042 2.199619 -1.739756
H -2.295913 2.935349 -1.585102
H -1.325047 3.108532 1.735827
H -0.323382 3.332559 0.279660
H -4.296675 1.668256 1.103551
H -4.107629 0.228521 2.131856
H -0.044781 1.191376 2.475379
H 1.092387 2.471100 2.045453
H 1.349161 -1.667429 -1.433805
H -6.211543 0.501180 -0.138578
H -5.989819 -0.938887 0.893952
H -6.542810 0.601719 1.611277
H 3.489713 2.238503 1.713492
H 4.249845 -1.498141 -1.633167
H -0.282250 -4.027717 1.775217
H -1.986792 -4.277443 1.260065
H -1.635589 -3.574624 2.899371
H 5.797188 1.622658 0.975981
H 7.108932 0.222472 -0.359173


