%chk=000226456.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose,noeigentest) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000226456

0 1
 S    6.443700     -3.9999999E-04  1.9999999E-04
 O    4.884300      -2.597900     -0.7241000    
 O    4.884900       2.597200      0.7240000    
 N    3.056000      -1.184400     -0.9218000    
 N    3.056400       1.184000      0.9217000    
 N    2.176300      -2.156800     -0.5881000    
 N    2.176900       2.156500      0.5881000    
 C   -2.609800      -3.014100      8.4200002E-02
 C   -2.609100       3.014500     -8.4200002E-02
 C   -2.545000      -4.395300     -4.6999999E-03
 C   -2.544200       4.395600      4.6999999E-03
 C   -3.777200      -2.369800      0.4607000    
 C   -3.776600       2.370200     -0.4606000    
 C   -1.412400      -2.214100     -0.2281000    
 C   -1.411900       2.214300      0.2281000    
 C    5.263700     -0.3087000      -1.335700    
 C    5.264100      0.3080000       1.335600    
 C   -3.678600      -5.152600      0.2906000    
 C   -3.677600       5.153100     -0.2906000    
 C   -4.910600      -3.127200      0.7561000    
 C   -4.910000       3.127900     -0.7561000    
 C   -4.861200      -4.518700      0.6711000    
 C   -4.860300       4.519300     -0.6710000    
 C    4.402200      -1.492400     -0.9664000    
 C    4.402700       1.491900      0.9663000    
 C  -0.1587000      -2.685900     -0.2282000    
 C  -0.1581000       2.685900      0.2282000    
 C   0.9448000      -1.763900     -0.5712000    
 C   0.9453000       1.763700      0.5712000    
 H   -1.652500      -4.928700     -0.3160000    
 H   -1.651600       4.928900      0.3160000    
 H   -3.830800      -1.286700      0.5330000    
 H   -3.830300       1.287100     -0.5329000    
 H   -1.599400      -1.170600     -0.4711000    
 H   -1.599100       1.170800      0.4711000    
 H    5.817800     -0.5684000      -2.243600    
 H    4.678700      0.5868000      -1.561300    
 H    4.678900     -0.5873000       1.561300    
 H    5.818100      0.5676000       2.243600    
 H   -3.642200      -6.235900      0.2200000    
 H   -3.641100       6.236400     -0.2201000    
 H   -5.831700      -2.633700       1.052400    
 H   -5.831100       2.634500      -1.052400    
 H   -5.744100      -5.108300      0.9000000    
 H   -5.743100       5.109200     -0.8999000    
 H   0.1144000      -3.703100      2.2900000E-02
 H   0.1150000       3.703100     -2.2900000E-02
 H    2.693900     -0.2589000      -1.129900    
 H    2.694200      0.2585000       1.129800    
 H   0.6510000     -0.7357000     -0.8437000    
 H   0.6513000      0.7354000      0.8435000    


%chk=000226456-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000226456

0 1
S 6.906360 -0.001354 0.002239
O 4.826534 -2.513677 0.261912
O 4.822261 2.504205 -0.268997
N 3.313723 -1.264463 -1.029627
N 3.309173 1.261579 1.028457
N 2.203997 -1.943928 -0.554716
N 2.199827 1.940434 0.551740
C -2.710856 -2.375158 -0.386069
C -2.714704 2.377618 0.387281
C -2.776590 -3.592734 0.356621
C -2.779832 3.591446 -0.361565
C -3.936687 -1.739538 -0.743672
C -3.940888 1.745541 0.749923
C -1.446757 -1.753222 -0.798554
C -1.450880 1.756032 0.801117
C 5.697245 -0.756404 -1.237831
C 5.692484 0.752868 1.238074
C -4.018130 -4.144521 0.725509
C -4.021144 4.143054 -0.731485
C -5.179484 -2.293490 -0.373782
C -5.183457 2.299336 0.379042
C -5.227064 -3.499355 0.363697
C -5.230439 3.501459 -0.364557
C 4.605326 -1.611691 -0.583003
C 4.600800 1.605579 0.579429
C -0.176499 -2.181048 -0.487237
C -0.180447 2.180589 0.486052
C 1.016328 -1.502278 -0.945199
C 1.012011 1.502385 0.945806
H -1.854718 -4.113247 0.638152
H -1.857647 4.109209 -0.647111
H -3.906371 -0.803651 -1.315373
H -3.911014 0.812552 1.326365
H -1.544425 -0.845927 -1.414644
H -1.548947 0.851899 1.421777
H 6.335832 -1.406391 -1.860304
H 5.289541 0.055021 -1.865088
H 5.284350 -0.058495 1.865148
H 6.328257 1.404558 1.861684
H -4.049352 -5.081617 1.292472
H -4.051900 5.077247 -1.303241
H -6.108075 -1.788995 -0.662876
H -6.112327 1.797651 0.672093
H -6.190614 -3.934683 0.650307
H -6.193803 3.936655 -0.651986
H -0.003136 -3.065925 0.136895
H -0.006672 3.062207 -0.142562
H 3.206612 -0.457152 -1.664501
H 3.201691 0.457251 1.667030
H 0.890771 -0.622681 -1.610103
H 0.886038 0.626149 1.615060


