%chk=000053200.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053200

0 1
 O   -1.015200       1.657300       2.378700    
 O    3.778800      -1.814200      4.5699999E-02
 O    4.793200      0.7134000      0.5920000    
 N   -1.440400       1.322800      -1.000700    
 N   -1.407800     -0.4522000       1.629300    
 C  -0.6080000      0.1173000      -1.180400    
 C   -2.140200       1.519800      0.2729000    
 C  -0.7176000       2.518100      -1.452400    
 C   0.8381000      0.2655000     -0.6801000    
 C   -3.609600       1.098800      0.1650000    
 C   0.5398000       2.785900     -0.6272000    
 C    1.378300       1.547100     -0.4468000    
 C   -1.306200      -1.160400     -0.7283000    
 C   -1.444000      0.9165000       1.487500    
 C   -1.585700      -1.419200      0.6242000    
 C    1.678500     -0.8522000     -0.5312000    
 C   -4.370700       1.516600       1.417000    
 C   -4.240700       1.702900      -1.083400    
 C    2.703600       1.681600     -6.0000001E-03
 C   -1.567300      -2.169600      -1.673400    
 C    2.998900     -0.7062000     -0.1028000    
 C    3.509000      0.5590000      0.1669000    
 C   -2.018800      -2.690900       1.022600    
 C   -2.048900      -3.417100      -1.275600    
 C   -2.259500      -3.682500      7.3399998E-02
 C    3.770900      -2.446100       1.324400    
 C    5.791600      0.8880000     -0.4114000    
 H  -0.4876000      2.5100000E-02  -2.270900    
 H   -2.166100       2.600600      0.4829000    
 H   -1.371000       3.399400      -1.441400    
 H  -0.4403000       2.384600      -2.507200    
 H   -3.716800      1.3500000E-02  7.7399999E-02
 H   0.2712000       3.174500      0.3621000    
 H    1.130400       3.558500      -1.134500    
 H    1.312900      -1.852300     -0.7507000    
 H   -1.242600     -0.8060000       2.568300    
 H   -4.311100       2.598000       1.581900    
 H   -5.431000       1.254500       1.328600    
 H   -3.991000       1.013600       2.311900    
 H   -4.124900       2.792100      -1.106900    
 H   -5.314700       1.486700      -1.112800    
 H   -3.813700       1.289400      -2.002900    
 H    3.108500       2.670600      0.1975000    
 H   -1.364600      -2.002200      -2.728600    
 H   -2.204200      -2.909500       2.071700    
 H   -2.236100      -4.188100      -2.017200    
 H   -2.616300      -4.659200      0.3865000    
 H    2.763800      -2.795900       1.572800    
 H    4.131000      -1.758400       2.096100    
 H    4.441200      -3.308900       1.284400    
 H    6.761100      0.9889000      8.3899997E-02
 H    5.598200       1.796300     -0.9908000    
 H    5.826900      1.8700000E-02  -1.075700    


%chk=000053200-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000053200

0 1
O -1.190110 1.809527 2.405377
O 3.730797 -1.882058 0.034911
O 4.851736 0.771738 0.591662
N -1.470189 1.405019 -1.072096
N -1.307362 -0.339453 1.574585
C -0.630307 0.186821 -1.257114
C -2.249937 1.554219 0.193069
C -0.714577 2.618893 -1.476297
C 0.811056 0.338847 -0.691146
C -3.722132 1.028464 0.065150
C 0.504590 2.884680 -0.561102
C 1.351746 1.626338 -0.411163
C -1.309577 -1.095306 -0.781196
C -1.529657 1.035144 1.460073
C -1.555768 -1.345593 0.598474
C 1.631876 -0.803712 -0.534475
C -4.482168 1.173202 1.405100
C -4.442271 1.800913 -1.061971
C 2.700563 1.729202 0.005730
C -1.617926 -2.114968 -1.710709
C 2.965007 -0.696486 -0.095496
C 3.517567 0.592597 0.153325
C -2.040095 -2.607699 1.023115
C -2.116633 -3.370516 -1.297243
C -2.310541 -3.621349 0.080423
C 4.176021 -2.171443 1.417612
C 5.882818 0.333291 -0.377214
H -0.511336 0.077660 -2.356710
H -2.331344 2.641591 0.382859
H -1.402561 3.483305 -1.478583
H -0.373819 2.465345 -2.519929
H -3.694558 -0.040712 -0.215111
H 0.149074 3.211371 0.437168
H 1.118645 3.712107 -0.966642
H 1.242784 -1.807957 -0.733832
H -0.937535 -0.629296 2.485856
H -4.491269 2.227075 1.743925
H -5.531477 0.846434 1.285886
H -4.029088 0.566411 2.210301
H -4.580749 2.864643 -0.784204
H -5.442620 1.370283 -1.253425
H -3.854770 1.755107 -1.995355
H 3.143960 2.709664 0.213633
H -1.440033 -1.925379 -2.776091
H -2.222951 -2.782619 2.090064
H -2.337942 -4.145926 -2.037831
H -2.684428 -4.593872 0.418590
H 3.299641 -2.352408 2.069049
H 4.776043 -1.336765 1.823272
H 4.784122 -3.086362 1.345887
H 6.847729 0.501791 0.125162
H 5.825010 0.947173 -1.296354
H 5.758247 -0.734478 -0.632669


