%chk=000151028.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000151028

1 1
 O   -3.503900      0.5013000     -0.4157000    
 O   -5.827500     -3.9299998E-02   2.143400    
 O   -3.701500     -0.8206000       1.952300    
 N   -5.460100     -0.9965000     -0.8853000    
 C   -4.821900      0.1170000      1.8000000E-03
 C    1.801900      0.6348000      0.1521000    
 C   0.7122000       1.574900     -0.3733000    
 C    3.204400      0.9986000     -0.3414000    
 C  -0.6940000       1.197500      9.9799998E-02
 C    4.293400      5.1399998E-02  0.1735000    
 C   -1.745900       2.151300     -0.4761000    
 C    5.732700      0.4120000     -0.2116000    
 C   -4.581200      -2.245700     -0.7853000    
 C   -5.527900     -0.5663000      -2.346600    
 C   -6.860100      -1.362300     -0.4020000    
 C   -3.153200       1.813000      8.9999998E-04
 C    6.767100     -0.6031000      0.2813000    
 C    8.194200     -0.2882000     -0.1792000    
 C   -4.689200     -0.3000000       1.452900    
 C    9.226800      -1.314500      0.2887000    
 C    10.63370     -0.9151000     -0.1301000    
 H   -5.496100      0.9793000     -8.1100002E-02
 H    1.789600      0.6480000       1.248800    
 H    1.568900     -0.3922000     -0.1551000    
 H   0.9391000       2.599900     -5.4900002E-02
 H   0.7369000       1.570900      -1.470200    
 H    3.441800       2.021400     -2.4200000E-02
 H    3.217900      0.9959000      -1.438100    
 H  -0.9138000      0.1677000     -0.2057000    
 H  -0.7314000       1.225100       1.195400    
 H    4.073500     -0.9603000     -0.1908000    
 H    4.230500      4.9000001E-03   1.268200    
 H   -1.507900       3.183500     -0.1946000    
 H   -1.714200       2.090100      -1.570900    
 H    5.796300      0.4885000      -1.304000    
 H    5.976000       1.403100      0.1897000    
 H   -3.562400      -1.985900      -1.086000    
 H   -4.988800      -3.001900      -1.464100    
 H   -4.604000      -2.627400      0.2385000    
 H   -6.144800      0.3347000      -2.405300    
 H   -5.974000      -1.376500      -2.931000    
 H   -4.512600     -0.3589000      -2.696200    
 H   -6.794900      -1.817500      0.5892000    
 H   -7.461200     -0.4491000     -0.3763000    
 H   -7.290800      -2.080600      -1.106400    
 H   -3.203000       1.894700       1.092500    
 H   -3.857800       2.532000     -0.4327000    
 H    6.490600      -1.601800     -7.8699999E-02
 H    6.739900     -0.6427000       1.377100    
 H    8.474600      0.7048000      0.1940000    
 H    8.214700     -0.2310000      -1.274700    
 H    8.987300      -2.298800     -0.1294000    
 H    9.189700      -1.406900       1.380300    
 H    10.91320      5.0700001E-02  0.3029000    
 H    11.35690      -1.662400      0.2114000    
 H    10.71190     -0.8394000      -1.219400    
 H   -5.757200     -0.3147000       3.082300    


%chk=000151028-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000151028

1 1
O -3.632428 0.371029 -0.311324
O -4.603069 0.313522 2.484869
O -4.821275 -1.904656 1.799141
N -5.539150 -0.948213 -0.907193
C -4.924355 0.002248 0.167125
C 1.790057 0.630893 0.230024
C 0.675619 1.403544 -0.510936
C 3.187071 0.829971 -0.400359
C -0.725327 1.189080 0.105347
C 4.307207 0.065298 0.340326
C -1.823045 1.985153 -0.636772
C 5.700762 0.257464 -0.299697
C -4.588866 -2.115535 -1.220056
C -5.735886 -0.119247 -2.179615
C -6.894709 -1.479113 -0.437773
C -3.224850 1.807822 -0.061209
C 6.824824 -0.503373 0.439244
C 8.216081 -0.315282 -0.207061
C -4.800470 -0.683509 1.550882
C 9.342054 -1.075593 0.530492
C 10.726855 -0.883781 -0.124944
H -5.616567 0.865654 0.249060
H 1.818857 0.953788 1.291553
H 1.545140 -0.452032 0.239734
H 0.918404 2.486498 -0.507526
H 0.661378 1.091379 -1.576166
H 3.432196 1.912401 -0.414921
H 3.161378 0.502932 -1.460941
H -0.973066 0.109417 0.090299
H -0.706818 1.496451 1.171601
H 4.061733 -1.017326 0.362295
H 4.341901 0.398009 1.398797
H -1.590046 3.068384 -0.587327
H -1.829638 1.718666 -1.712204
H 5.667729 -0.077034 -1.357789
H 5.946984 1.339639 -0.323950
H -3.616238 -1.695862 -1.511370
H -5.028894 -2.693172 -2.046848
H -4.484940 -2.737368 -0.321119
H -6.472456 0.676187 -1.984371
H -6.107565 -0.782821 -2.974377
H -4.767860 0.313883 -2.466586
H -6.744758 -2.154789 0.414560
H -7.538220 -0.631554 -0.152076
H -7.357020 -2.026547 -1.272967
H -3.248413 1.981230 1.030151
H -3.971937 2.457604 -0.562444
H 6.578715 -1.585730 0.467809
H 6.863793 -0.165649 1.496092
H 8.464971 0.766285 -0.236012
H 8.179595 -0.653562 -1.263893
H 9.092921 -2.156170 0.560755
H 9.380557 -0.735968 1.585715
H 11.014846 0.184366 -0.138848
H 11.513306 -1.437819 0.419387
H 10.723274 -1.243126 -1.171352
H -4.435939 -0.056565 3.395369


