%chk=000111098.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000111098

0 1
 O    1.175100       1.052600      -1.560500    
 O   -1.026800       1.909000       1.620100    
 O   -6.580500      0.8198000       1.394800    
 O   -6.419800       1.550000     -0.7495000    
 O    8.104900     -0.4836000      0.9910000    
 O    7.966700      0.8811000     -0.7230000    
 N   -1.320800       1.026700     -0.5058000    
 N    1.848100     -0.3573000      0.1905000    
 N    7.430200      0.1445000      0.1396000    
 C  -0.5037000     -0.1478000     -0.3124000    
 C  -0.9999000      -1.298500      -1.195800    
 C   -2.228600      -1.985700     -0.6525000    
 C   0.9316000      0.2517000     -0.6619000    
 C   -2.437300       3.086800      4.1299999E-02
 C   -1.514000       1.968400      0.4945000    
 C   -3.830100       2.607700     -0.3635000    
 C   -2.081000      -3.066800      0.2026000    
 C   -3.483600      -1.524300      -1.018200    
 C   -4.557400       1.897200      0.7799000    
 C    3.256900     -0.2307000      0.1776000    
 C   -3.216800      -3.702400      0.7045000    
 C   -4.619300      -2.159700     -0.5162000    
 C   -4.485900      -3.248800      0.3451000    
 C    4.008200     -0.9212000       1.114400    
 C    3.856200      0.5812000     -0.7715000    
 C   -5.931300       1.423000      0.3646000    
 C    5.397500     -0.7962000       1.101800    
 C    5.245400      0.7059000     -0.7841000    
 C    6.016000      1.7300000E-02  0.1525000    
 H  -0.5539000     -0.4281000      0.7472000    
 H  -0.2039000      -2.048300      -1.304200    
 H   -1.194700     -0.9490000      -2.219200    
 H   -1.682400       1.210800      -1.437100    
 H   -1.962200       3.599400     -0.8035000    
 H   -2.514300       3.814900      0.8573000    
 H   -4.419600       3.475200     -0.6862000    
 H   -3.770500       1.941700      -1.232300    
 H    1.482200     -0.9826000      0.9052000    
 H   -4.673800       2.583400       1.626000    
 H   -3.991500       1.018900       1.107600    
 H   -1.096900      -3.425600      0.4906000    
 H   -3.599200     -0.6784000      -1.689500    
 H   -3.113000      -4.549700       1.376000    
 H   -5.607400      -1.805900     -0.7955000    
 H   -5.370300      -3.743000      0.7364000    
 H    3.536100      -1.557300       1.858000    
 H    3.330600       1.142000      -1.530000    
 H    5.965700      -1.347500       1.846700    
 H    5.694200       1.347600      -1.538300    
 H   -7.471900      0.5062000       1.131100    


%chk=000111098-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000111098

0 1
O 1.478133 -1.134242 -2.048267
O -0.096713 0.839752 1.732265
O -6.426075 0.755136 1.587321
O -5.943426 1.712716 -0.470782
O 7.872723 1.600705 1.271244
O 8.141863 0.736277 -0.824435
N -1.097763 0.379796 -0.302244
N 1.857240 -0.215690 0.093601
N 7.412704 1.032533 0.202708
C -0.423642 -0.931395 -0.469370
C -1.190002 -1.807778 -1.487376
C -2.643488 -2.029892 -1.094284
C 1.067636 -0.769228 -0.908489
C -1.797384 2.419518 0.937091
C -0.950351 1.151815 0.825685
C -3.246458 2.349120 0.399835
C -2.975226 -2.830340 0.030882
C -3.695859 -1.430256 -1.831822
C -4.128504 1.348430 1.175038
C 3.237969 0.075631 0.059123
C -4.321495 -3.022122 0.410284
C -5.046548 -1.614927 -1.453138
C -5.362528 -2.411199 -0.329355
C 3.794104 0.705059 1.212488
C 4.076922 -0.232274 -1.051626
C -5.549473 1.314899 0.648274
C 5.158630 1.020347 1.264988
C 5.444879 0.083752 -0.998543
C 5.975984 0.704881 0.154180
H -0.424777 -1.414053 0.528896
H -0.649201 -2.768027 -1.562029
H -1.113484 -1.342044 -2.486634
H -1.791716 0.646396 -1.004883
H -1.250542 3.228012 0.411020
H -1.793997 2.689753 2.007658
H -3.690214 3.358976 0.478847
H -3.276989 2.108475 -0.680552
H 1.321847 0.087417 0.940166
H -4.155315 1.586018 2.253863
H -3.726951 0.317611 1.095734
H -2.176508 -3.316302 0.605853
H -3.461184 -0.829136 -2.719958
H -4.560449 -3.647721 1.277418
H -5.843403 -1.136619 -2.032570
H -6.406784 -2.562327 -0.035085
H 3.144457 0.943945 2.062048
H 3.645047 -0.709687 -1.932318
H 5.603177 1.502519 2.139138
H 6.109802 -0.142978 -1.836065
H -7.343370 0.723350 1.200376


