%chk=000044686.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000044686

0 1
 O    5.717500      0.8077000     -0.5003000    
 O   -1.585300     -1.3600000E-02   2.556900    
 N    3.042000     -0.1624000     -0.4532000    
 C  -0.7885000      5.7300001E-02  0.2304000    
 C   0.6325000      0.3176000     -0.3873000    
 C    1.791300     -0.4815000      0.2321000    
 C   -1.093800      -1.453400      8.5000005E-03
 C   -1.899200      0.9354000     -0.4228000    
 C  -0.8032000      0.4862000       1.743900    
 C    3.341200       1.272800     -0.3515000    
 C    4.154300     -0.9489000      9.7900003E-02
 C    4.655800       1.579100      -1.063300    
 C    5.450200     -0.5898000     -0.6236000    
 C   0.1042000       1.641600       2.168100    
 C   -1.774800      -1.801200      -1.120300    
 C   -3.176000      0.7692000      2.2200000E-02
 C  -0.6603000      -2.331800      0.9566000    
 C   -1.519400       1.810900      -1.394900    
 C  -0.4577000       2.420700       3.346300    
 C   -2.048300      -3.154400      -1.319400    
 C   -4.169600       1.554800     -0.5619000    
 C  -0.9337000      -3.685000      0.7575000    
 C   -2.513200       2.596600      -1.978900    
 C   -1.627700      -4.096300     -0.3805000    
 C   -3.838300       2.468500      -1.562200    
 H   0.8407000       1.383000     -0.3070000    
 H   0.6116000      7.7699997E-02  -1.461300    
 H    1.619000      -1.550000      7.5700000E-02
 H    1.877800     -0.3211000       1.309300    
 H    2.600900       1.898900     -0.8540000    
 H    3.408800       1.580200      0.6999000    
 H    4.267900     -0.7474000       1.171100    
 H    3.963300      -2.020600     -2.8300000E-02
 H    4.590300       1.380000      -2.140100    
 H    4.911400       2.636200     -0.9374000    
 H    6.289300      -1.129800     -0.1735000    
 H    5.411200     -0.8629000      -1.685200    
 H   0.1953000       2.358200       1.348700    
 H    1.091900       1.259300       2.430200    
 H   -2.082100      -1.107300      -1.893500    
 H   -3.456300      5.8499999E-02  0.7913000    
 H  -0.1073000      -2.040300       1.842100    
 H  -0.5157000       1.953000      -1.769500    
 H  -0.5307000       1.788100       4.237100    
 H   -1.459800       2.801300       3.122500    
 H   0.1885000       3.271100       3.585300    
 H   -2.579900      -3.476200      -2.210200    
 H   -5.201800       1.453500     -0.2395000    
 H  -0.6028000      -4.419100       1.486400    
 H   -2.256800       3.306800      -2.759700    
 H   -1.837800      -5.150300     -0.5371000    
 H   -4.612200       3.079300      -2.017800    


%chk=000044686-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000044686

0 1
O 5.933529 0.575683 -0.429230
O -1.375046 0.037134 2.612653
N 3.093798 -0.062295 -0.416634
C -0.764766 0.086099 0.211318
C 0.621042 0.331041 -0.472976
C 1.784726 -0.473748 0.145618
C -1.094491 -1.424253 0.106111
C -1.892146 0.930865 -0.455956
C -0.766293 0.631102 1.685015
C 3.605719 1.206042 0.163078
C 4.128328 -1.124936 -0.300176
C 4.907120 1.624091 -0.541289
C 5.419445 -0.678923 -1.005450
C -0.087302 1.982756 1.940066
C -1.654705 -1.917025 -1.101900
C -3.216904 0.799843 0.043077
C -0.749766 -2.361055 1.114644
C -1.660063 1.831194 -1.525369
C -0.476556 2.607580 3.291800
C -1.872614 -3.298050 -1.297764
C -4.277046 1.544808 -0.512060
C -0.973200 -3.743398 0.923626
C -2.723784 2.577275 -2.085743
C -1.534797 -4.221011 -0.281832
C -4.035528 2.440194 -1.581334
H 0.864722 1.408591 -0.447633
H 0.544881 0.049905 -1.539384
H 1.637674 -1.545232 -0.077831
H 1.773033 -0.381267 1.263543
H 2.854529 2.007191 0.031394
H 3.802462 1.096632 1.260875
H 4.361279 -1.357714 0.769675
H 3.747813 -2.047933 -0.776568
H 4.697226 1.830625 -1.613170
H 5.346572 2.518413 -0.069117
H 6.225296 -1.418675 -0.868081
H 5.219868 -0.538305 -2.089696
H -0.332743 2.666701 1.104320
H 1.011430 1.830602 1.895381
H -1.931179 -1.211733 -1.894147
H -3.409176 0.104881 0.868611
H -0.330814 -2.016634 2.063053
H -0.655935 1.951661 -1.942917
H -0.237218 1.926614 4.125666
H -1.561626 2.805623 3.334234
H 0.059830 3.560888 3.446192
H -2.308855 -3.650951 -2.239265
H -5.290306 1.427580 -0.111811
H -0.710322 -4.446635 1.722157
H -2.524725 3.262026 -2.918070
H -1.709492 -5.293232 -0.425945
H -4.858224 3.019564 -2.014960


