%chk=000114382.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000114382

0 1
 O  -0.5214000      0.7811000       1.287000    
 N    4.194300       2.294800      3.0999999E-02
 C  -0.3442000      0.2397000     -6.0199998E-02
 C   -1.858900       1.317200       1.472600    
 C   -1.714100      0.3352000     -0.6669000    
 C   -2.586100      0.9529000      0.2220000    
 C   0.6399000       1.191800     -0.7591000    
 C   0.1734000      -1.195600      2.7799999E-02
 C    1.962000       1.282900      1.1000000E-03
 C   -1.743900       2.830500       1.655800    
 C   -2.466000      0.6667000       2.714500    
 C   -2.151800     -7.3399998E-02  -1.919700    
 C   -3.916600       1.166100     -0.1094000    
 C    2.946700       2.203300     -0.7181000    
 C   0.9026000      -1.738200      -1.029100    
 C  -8.5199997E-02  -1.960300       1.164400    
 C   -3.489200      0.1338000      -2.263400    
 C   -4.367700      0.7490000      -1.362100    
 C    1.374300      -3.048600     -0.9494000    
 C   0.3866000      -3.270700       1.244400    
 C    1.116400      -3.814800      0.1874000    
 C    4.797500      0.9706000      0.1916000    
 C    5.130500       3.201600     -0.6355000    
 C    1.620600      -5.215700      0.2732000    
 H   0.8118000      0.9170000      -1.806200    
 H   0.2101000       2.202800     -0.7925000    
 H    1.792200       1.661200       1.016800    
 H    2.377500      0.2776000      9.3099996E-02
 H   -1.110600       3.069000       2.518000    
 H   -1.273900       3.304000      0.7863000    
 H   -2.723100       3.298000       1.805300    
 H   -2.571600     -0.4165000       2.588700    
 H   -1.822000      0.8200000       3.587900    
 H   -3.458300       1.071900       2.940700    
 H   -1.476400     -0.5443000      -2.626000    
 H   -4.596700       1.649900      0.5838000    
 H    3.121700       1.838100      -1.738800    
 H    2.496200       3.200200     -0.8029000    
 H    1.105900      -1.183000      -1.938500    
 H  -0.6499000      -1.570300       2.003600    
 H   -3.851400     -0.1817000      -3.238000    
 H   -5.405400      0.9060000      -1.643100    
 H    1.936300      -3.463700      -1.781900    
 H   0.1775000      -3.858500       2.134300    
 H    4.263100      0.3639000      0.9291000    
 H    5.814500       1.061600      0.5933000    
 H    4.865500      0.4211000     -0.7544000    
 H    4.693300       4.201500     -0.7345000    
 H    5.410100       2.846500      -1.634100    
 H    6.043900       3.318400     -4.1499998E-02
 H   0.8731000      -5.908900     -0.1252000    
 H    2.549400      -5.337100     -0.2945000    
 H    1.840300      -5.493500       1.309600    


%chk=000114382-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000114382

0 1
O -0.555092 0.745258 1.361169
N 4.322907 2.372367 -0.011839
C -0.325441 0.218185 -0.021035
C -1.935531 1.325762 1.514272
C -1.706732 0.334789 -0.676134
C -2.609420 0.984577 0.192771
C 0.707456 1.149482 -0.725710
C 0.164102 -1.239473 0.075222
C 2.070713 1.216002 -0.007085
C -1.796775 2.847700 1.742972
C -2.595097 0.631588 2.724204
C -2.120261 -0.081116 -1.957216
C -3.937796 1.235757 -0.203496
C 3.036986 2.178201 -0.725961
C 0.698682 -1.905866 -1.057330
C 0.072065 -1.959780 1.289681
C -3.453120 0.168637 -2.361838
C -4.357407 0.824819 -1.491213
C 1.111381 -3.253369 -0.978389
C 0.489202 -3.306386 1.365807
C 1.008225 -3.983183 0.233198
C 5.139318 1.144318 0.065289
C 5.092796 3.500478 -0.574067
C 1.424038 -5.442409 0.310537
H 0.843567 0.812362 -1.773853
H 0.258371 2.160705 -0.777981
H 1.920436 1.560658 1.031763
H 2.500639 0.198449 0.043081
H -1.190112 3.036204 2.645826
H -1.300596 3.326786 0.881718
H -2.789286 3.315694 1.881164
H -2.686377 -0.453075 2.544627
H -1.981391 0.792543 3.628037
H -3.604356 1.043427 2.910070
H -1.431025 -0.603974 -2.628971
H -4.639928 1.738104 0.472141
H 3.204967 1.815815 -1.778352
H 2.552748 3.172000 -0.806769
H 0.813824 -1.374148 -2.009215
H -0.305880 -1.440680 2.174525
H -3.789936 -0.151990 -3.354002
H -5.387326 1.010598 -1.815978
H 1.523879 -3.743977 -1.868946
H 0.415301 -3.839534 2.322209
H 4.597531 0.355684 0.612673
H 6.071414 1.358395 0.618390
H 5.419486 0.739234 -0.942638
H 4.483287 4.421440 -0.539184
H 5.412177 3.338348 -1.636872
H 6.002234 3.669582 0.030559
H 0.568890 -6.112191 0.093629
H 2.218238 -5.677810 -0.419971
H 1.796825 -5.703888 1.316814


