%chk=000121972.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000121972

0 1
 I    4.996800      0.9122000      -1.219700    
 O   -3.617000      0.5367000     -0.1038000    
 O    2.925600      0.1634000       1.599700    
 N   -2.239200      0.2428000     -0.4328000    
 N    1.885800     -0.6925000     -0.2933000    
 C   -1.916100      -1.160800     -0.1253000    
 C   -1.353600       1.337900     -2.4000001E-03
 C   0.5268000     -0.4064000      0.1052000    
 C  -0.4352000      -1.440300     -0.4834000    
 C   0.1118000      0.9896000     -0.3637000    
 C   -2.787700      -2.051400      -1.043400    
 C   -2.190200      -1.602100       1.327800    
 C   -1.741200       2.597200     -0.8148000    
 C   -1.443200       1.716300       1.491000    
 C    2.979800     -0.3793000      0.4974000    
 C    4.296800     -0.7633000     -0.1385000    
 H   0.4926000     -0.4521000       1.198800    
 H  -0.1459000      -2.445500     -0.1478000    
 H  -0.3157000      -1.448800      -1.577000    
 H   0.2482000       1.047000      -1.453800    
 H   0.7935000       1.741100      5.7100002E-02
 H   -2.512900      -3.108100     -0.9427000    
 H   -3.853500      -1.966600     -0.8015000    
 H   -2.663000      -1.781200      -2.098900    
 H   -1.534700      -1.115000       2.051200    
 H   -3.224900      -1.393300       1.621500    
 H   -2.035600      -2.681800       1.441800    
 H   -1.721500       2.399400      -1.893400    
 H   -2.745900       2.953900     -0.5598000    
 H   -1.043300       3.420500     -0.6215000    
 H  -0.8444000       2.610500       1.701900    
 H   -2.473800       1.943200       1.785800    
 H   -1.073800      0.9307000       2.151800    
 H    2.041400      -1.077500      -1.220700    
 H   -3.976500      0.6616000     -0.9985000    
 H    4.167100      -1.635100     -0.7881000    
 H    4.993400      -1.051000      0.6558000    


%chk=000121972-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000121972

0 1
I 4.727334 -1.368287 -2.095661
O -3.639950 0.527888 -0.120139
O 2.876819 -0.036779 1.702469
N -2.211975 0.282456 -0.549509
N 1.935179 -0.611700 -0.354398
C -1.897754 -1.163465 -0.216667
C -1.370263 1.390105 0.057856
C 0.537639 -0.354302 0.054417
C -0.404951 -1.383370 -0.598599
C 0.101976 1.077138 -0.333936
C -2.777995 -2.029181 -1.152824
C -2.178433 -1.586891 1.254410
C -1.802345 2.700266 -0.647566
C -1.527035 1.583595 1.594378
C 2.989873 -0.420853 0.492351
C 4.418529 -0.681620 0.009426
H 0.525148 -0.456380 1.154185
H -0.114949 -2.409208 -0.303415
H -0.311516 -1.309356 -1.702100
H 0.214258 1.198399 -1.429956
H 0.761231 1.814768 0.159333
H -2.455944 -3.085832 -1.113335
H -3.836453 -1.981308 -0.844817
H -2.694411 -1.672761 -2.195143
H -1.422774 -1.214529 1.964894
H -3.167714 -1.211077 1.565693
H -2.188813 -2.690225 1.325001
H -1.824016 2.557524 -1.742834
H -2.805513 3.013120 -0.309546
H -1.092054 3.513383 -0.411482
H -1.138134 2.577600 1.881160
H -2.595272 1.537300 1.866175
H -0.978433 0.833624 2.186767
H 2.121826 -0.893136 -1.322109
H -4.084585 0.727025 -0.984139
H 4.875488 -1.466532 0.630347
H 5.006781 0.244505 0.091310


