%chk=000100131.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100131

0 1
 O    3.135700       1.391600      -1.093000    
 O  -0.6784000       1.076900       1.662600    
 O    4.323300      0.7478000      0.7200000    
 O   -2.727100      -1.233600     -0.8788000    
 N   0.7938000      0.6631000     -8.3600000E-02
 N   -2.761200      0.9651000     -0.1289000    
 N   -4.905800      -1.807300      0.6909000    
 C    1.970300      -1.148900       1.117200    
 C    2.226800      -2.181500     -4.0000002E-03
 C    1.938800      0.3363000      0.7262000    
 C    1.136100      -2.046900      -1.073300    
 C    3.599600      -2.052100     -0.6602000    
 C   -1.463400       1.355500     -0.6134000    
 C  -0.4380000       1.011400      0.4589000    
 C    3.250900      0.8200000      0.1294000    
 C   -1.421300       2.838000     -0.9499000    
 C   -3.293500     -0.3080000     -0.3016000    
 C   -4.686600     -0.4275000      0.2815000    
 H    1.023000      -1.405100       1.610700    
 H    2.750200      -1.288400       1.878000    
 H    2.153200      -3.178500      0.4484000    
 H    1.830100      0.9161000       1.653000    
 H   0.9191000      0.7216000      -1.089500    
 H   0.1379000      -1.971300     -0.6309000    
 H    1.305500      -1.208700      -1.753700    
 H    1.135900      -2.946600      -1.700700    
 H    3.669400      -1.209600      -1.351600    
 H    4.391900      -1.970800      9.0400003E-02
 H    3.807600      -2.951100      -1.252500    
 H   -1.249000      0.7730000      -1.517500    
 H   -1.624000       3.452700     -6.5300003E-02
 H  -0.4362000       3.125100      -1.332600    
 H   -2.171000       3.087700      -1.708200    
 H   -3.287800       1.646300      0.4107000    
 H    3.999600       1.709700      -1.431900    
 H   -4.806400      0.2317000       1.146600    
 H   -5.413700     -0.1357000     -0.4823000    
 H   -4.786200      -2.429500     -0.1074000    
 H   -4.205000      -2.080600       1.378600    


%chk=000100131-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000100131

0 1
O 2.374238 0.445889 -2.270679
O 0.315299 2.228480 1.620071
O 4.261043 0.220714 -0.937301
O -1.438373 -0.087183 -1.957931
N 0.718359 0.930443 -0.272380
N -2.358116 0.936245 -0.089567
N -3.050227 -2.459900 -1.432945
C 2.228198 -0.546140 1.205435
C 1.750469 -1.987362 0.864752
C 2.086511 0.604104 0.149878
C 0.210251 -2.128651 0.779650
C 2.424006 -2.591653 -0.391218
C -1.446191 2.106023 -0.130580
C -0.062051 1.759852 0.499372
C 3.028667 0.401744 -1.032404
C -2.085589 3.307344 0.577526
C -2.325109 -0.060374 -1.038607
C -3.440294 -1.131659 -0.953470
H 1.692866 -0.193399 2.107117
H 3.305468 -0.583888 1.460117
H 2.080554 -2.594047 1.735835
H 2.466428 1.501348 0.683070
H 0.336630 0.569633 -1.161073
H -0.281962 -1.676081 1.660881
H -0.185508 -1.639205 -0.126674
H -0.070869 -3.199362 0.742600
H 2.071295 -2.094727 -1.314492
H 3.524341 -2.500011 -0.348705
H 2.172384 -3.664784 -0.482411
H -1.279401 2.325523 -1.202555
H -2.204505 3.109780 1.657295
H -1.432497 4.190366 0.487062
H -3.066269 3.543908 0.128293
H -3.027722 0.883915 0.681684
H 3.037235 0.310133 -3.000380
H -3.813457 -1.213027 0.085502
H -4.289297 -0.768754 -1.565928
H -2.712290 -2.439626 -2.401844
H -2.370415 -2.927708 -0.822696


