%chk=000041269.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000041269

0 1
 O   -3.066200      0.6742000      -2.285000    
 O    4.924800     -2.4300000E-02  -1.360300    
 O    5.177400      -2.157400      0.4013000    
 N   -1.006700     -0.4565000      0.1099000    
 N   -1.864000       2.304700      -1.232600    
 C   0.1336000      0.3915000     -0.3109000    
 C  -0.7831000     -0.9736000       1.472900    
 C   -2.332900      0.1898000     -1.1600000E-02
 C    1.481000     -0.3052000     -0.1242000    
 C   0.4124000      -1.927400       1.489000    
 C    1.613600      -1.383200      0.7668000    
 C   6.5899998E-02   1.825500      0.2270000    
 C  -0.8672000       2.727000     -0.3279000    
 C   -2.430800       1.040300      -1.293900    
 C   -3.481400     -0.8181000      2.5599999E-02
 C    2.608300      0.1380000     -0.8376000    
 C    2.861600      -2.000300      0.9300000    
 C   0.9516000       2.306800       1.205400    
 C    3.846900     -0.4774000     -0.6613000    
 C    3.973700      -1.544900      0.2231000    
 C  -0.8104000       4.090300     -1.5400000E-02
 C   -4.684000     -0.4672000      0.6272000    
 C   -3.311400      -2.074700     -0.5430000    
 C   0.9653000       3.658600       1.555900    
 C   0.1009000       4.552200      0.9308000    
 C   -5.732300      -1.386800      0.6610000    
 C   -4.359800      -2.994200     -0.5093000    
 C   -5.570300      -2.650200      9.2799999E-02
 C    5.706600       1.002200     -0.7526000    
 C    5.476500      -3.259500     -0.4532000    
 H   6.2300000E-02  0.4655000      -1.407100    
 H   -1.649600      -1.533700       1.843300    
 H  -0.6226000     -0.1510000       2.181900    
 H   -2.477100      0.8700000      0.8411000    
 H   0.1280000      -2.872900       1.009400    
 H   0.6739000      -2.147400       2.531000    
 H    2.517600      0.9709000      -1.531500    
 H    2.963700      -2.844000       1.609000    
 H   -2.202500       2.997800      -1.895000    
 H    1.662600       1.646500       1.694400    
 H   -1.500800       4.794400     -0.4734000    
 H   -4.822600      0.5146000       1.070900    
 H   -2.385400      -2.363000      -1.032100    
 H    1.667000       4.016200       2.304200    
 H   0.1264000       5.606100       1.191800    
 H   -6.675000      -1.118800       1.129000    
 H   -4.235300      -3.976800     -0.9550000    
 H   -6.386800      -3.365800      0.1181000    
 H    6.128500      0.6547000      0.1957000    
 H    5.100800       1.899000     -0.5884000    
 H    6.527700       1.253500      -1.429400    
 H    6.470600      -3.634000     -0.1939000    
 H    5.483900      -2.943900      -1.501200    
 H    4.750000      -4.065400     -0.3082000    


%chk=000041269-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000041269

0 1
O -3.117399 0.578378 -2.433008
O 4.952194 0.025098 -1.340710
O 5.187483 -2.220429 0.531322
N -1.049805 -0.458217 0.092537
N -1.813168 2.219278 -1.450195
C 0.099575 0.367935 -0.403932
C -0.838803 -0.928699 1.486977
C -2.376495 0.216651 -0.073236
C 1.431830 -0.328059 -0.131379
C 0.318588 -1.938827 1.508545
C 1.544902 -1.408294 0.782203
C 0.049216 1.821132 0.117035
C -0.908047 2.708686 -0.458641
C -2.456552 0.973624 -1.434398
C -3.521102 -0.782034 0.054196
C 2.585896 0.131002 -0.811571
C 2.809478 -2.018919 0.970767
C 0.902294 2.323099 1.128011
C 3.843073 -0.466176 -0.609319
C 3.952402 -1.576553 0.278899
C -0.953133 4.072400 -0.079429
C -4.638244 -0.481904 0.868809
C -3.490688 -2.006145 -0.657298
C 0.846194 3.676973 1.527987
C -0.070078 4.557925 0.907442
C -5.714911 -1.392071 0.976609
C -4.562131 -2.917852 -0.549122
C -5.678128 -2.613923 0.267215
C 6.022433 0.616993 -0.505258
C 5.780327 -2.897351 -0.646656
H -0.021668 0.422416 -1.504568
H -1.768306 -1.415750 1.826919
H -0.630867 -0.078268 2.181875
H -2.511680 1.003094 0.712768
H -0.022346 -2.869359 1.013589
H 0.572994 -2.201293 2.553489
H 2.527059 0.976290 -1.506374
H 2.922153 -2.867060 1.655600
H -2.021881 2.803573 -2.266126
H 1.643398 1.653180 1.577299
H -1.690484 4.738780 -0.542319
H -4.666603 0.465837 1.422186
H -2.622699 -2.230385 -1.284922
H 1.521262 4.046268 2.307400
H -0.107283 5.612894 1.200076
H -6.574586 -1.150601 1.611935
H -4.533221 -3.861948 -1.104998
H -6.510356 -3.322572 0.348592
H 6.402780 -0.116075 0.229133
H 5.641582 1.512772 0.021707
H 6.817448 0.906993 -1.209120
H 6.743555 -3.300342 -0.298346
H 5.933602 -2.185252 -1.477484
H 5.123844 -3.724213 -0.978213


