%chk=000032306.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032306

0 1
 I  -0.5581000      -1.767700       1.726400    
 I   -3.989800       2.416800      -1.148900    
 I    1.826300       3.442400     -0.3144000    
 O    1.554400      0.5354000       1.066900    
 O    2.648900      -2.539800     -0.2324000    
 O    2.679800      -1.860600       1.931000    
 O   -4.454600      -2.052500     -0.5148000    
 N   -3.147800     -0.3276000      0.4094000    
 C    3.681900      0.5777000     -7.4299999E-02
 C    4.898900     -0.2407000     -0.5293000    
 C    2.384800     -0.1983000      0.1818000    
 C    6.198000      0.5584000     -0.6090000    
 C   -2.026600      0.4998000      0.2569000    
 C   0.3283000      0.9244000      0.5894000    
 C  -0.7836000      9.6699998E-02  0.7447000    
 C   -4.015400     -0.2142000       1.619200    
 C    7.358100     -0.3139000      -1.065900    
 C    2.599000      -1.593100      0.7389000    
 C   -2.157700       1.730600     -0.3862000    
 C   -3.481000      -1.299300     -0.5968000    
 C   0.1972000       2.155100     -5.3599998E-02
 C   -1.045800       2.558300     -0.5414000    
 C   -2.550900      -1.412800      -1.801300    
 C   -5.134000      0.7851000       1.408100    
 C   -3.010200      -2.460000      -2.804400    
 H    3.515600       1.302200     -0.8719000    
 H    3.954400       1.139400      0.8282000    
 H    5.064700      -1.067800      0.1709000    
 H    4.680600     -0.6899000      -1.506000    
 H    1.877300     -0.3302000     -0.7859000    
 H    6.432200      0.9869000      0.3723000    
 H    6.076200       1.393900      -1.307700    
 H   -3.400200      7.2999999E-02   2.478900    
 H   -4.441600      -1.201400       1.828500    
 H    7.525500      -1.141400     -0.3691000    
 H    8.277900      0.2770000      -1.118700    
 H    7.166300     -0.7333000      -2.058800    
 H   -1.147000       3.518800      -1.042500    
 H   -2.500600     -0.4466000      -2.311300    
 H   -1.546100      -1.677300      -1.461000    
 H   -4.783400       1.813600       1.504600    
 H   -5.683700      0.6115000      0.4800000    
 H   -5.862500      0.6620000       2.219400    
 H   -4.008600      -2.225600      -3.188400    
 H   -3.049600      -3.453500      -2.345700    
 H   -2.319600      -2.503000      -3.652200    
 H    2.768600      -3.439500      0.1397000    


%chk=000032306-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000032306

0 1
I -0.473589 -2.079612 1.431207
I -3.404730 2.789805 -1.048898
I 1.827055 3.604499 1.953125
O 1.508427 0.404889 2.249521
O 3.738075 -0.882148 3.686933
O 4.728163 0.790867 2.415412
O -3.718698 -1.814355 -1.662582
N -2.780000 -0.372506 -0.108774
C 2.974648 0.108959 0.172671
C 4.052619 -0.780042 -0.493717
C 2.664421 -0.337348 1.604038
C 4.301696 -0.381766 -1.967080
C -1.730639 0.514597 0.297963
C 0.450748 0.869160 1.465667
C -0.594020 0.019019 1.008328
C -3.787880 -0.818768 0.906641
C 5.385335 -1.247979 -2.643208
C 3.820483 -0.050734 2.571528
C -1.782441 1.916294 0.052051
C -2.809037 -0.981543 -1.380248
C 0.330809 2.265677 1.222311
C -0.772527 2.785338 0.517113
C -1.695012 -0.594653 -2.360798
C -5.175811 -0.169466 0.747042
C -1.790796 -1.375898 -3.682901
H 2.045755 0.052882 -0.427746
H 3.312927 1.161247 0.179817
H 5.003631 -0.697677 0.068039
H 3.741425 -1.845006 -0.452247
H 2.423569 -1.415330 1.645830
H 4.599115 0.685367 -2.008320
H 3.351540 -0.464771 -2.533403
H -3.367941 -0.603553 1.905281
H -3.884232 -1.914075 0.800509
H 6.352572 -1.156769 -2.114454
H 5.545255 -0.944052 -3.693673
H 5.100039 -2.316919 -2.640767
H -0.844118 3.858641 0.331177
H -1.750935 0.495033 -2.554091
H -0.713490 -0.770684 -1.876581
H -5.147016 0.918490 0.925645
H -5.571016 -0.356637 -0.264667
H -5.872029 -0.622438 1.477604
H -2.761343 -1.196720 -4.175223
H -1.711567 -2.461920 -3.506361
H -0.982438 -1.067772 -4.370169
H 4.459501 -0.650619 4.333754


