%chk=000049860.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000049860

0 1
 S   -2.951700      0.6122000     -0.3443000    
 O   -2.184000       1.533100      0.4703000    
 O   -3.100000      0.8194000      -1.771000    
 O    1.501700      -1.335600      -1.800800    
 N    2.541300      0.2504000     -0.4585000    
 C   -2.283600      -1.016200     -9.8800004E-02
 C  -0.9210000      -1.174200     -0.7861000    
 C    2.501500       1.277700      0.5899000    
 C    3.847700      7.6200001E-02  -1.097200    
 C   0.1420000     -0.2679000     -0.1807000    
 C    3.555800       1.001100       1.659500    
 C    4.926300     -0.2243000     -6.0300000E-02
 C    4.943300      0.8335000       1.042000    
 C   -2.240600      -1.365900       1.397300    
 C    1.451100     -0.5040000     -0.8908000    
 C   -4.576800      0.4866000      0.3598000    
 C   -1.822400      -2.795200       1.717800    
 C   -5.330600       1.793300      0.2517000    
 H   -2.986500      -1.695100     -0.5989000    
 H  -0.6064000      -2.223700     -0.7324000    
 H   -1.031300     -0.9482000      -1.855000    
 H  -0.1034000      0.7848000     -0.3292000    
 H   0.2884000     -0.4806000      0.8815000    
 H    1.520500       1.350100       1.061800    
 H    2.696900       2.241000      0.1037000    
 H    3.815300     -0.7277000      -1.839300    
 H    4.076900       1.006100      -1.631100    
 H    3.569600       1.818100       2.389200    
 H    3.291000      8.4899999E-02   2.202000    
 H    4.736000      -1.207300      0.3885000    
 H    5.907300     -0.2732000     -0.5454000    
 H    5.276400       1.791700      0.6249000    
 H    5.664200      0.5514000       1.817400    
 H   -3.238200      -1.261500       1.830800    
 H   -1.608500     -0.6674000       1.956100    
 H   -4.491800      0.2405000       1.418200    
 H   -5.110400     -0.3122000     -0.1625000    
 H   -2.440100      -3.515700       1.172700    
 H   -1.937800      -2.990900       2.788900    
 H  -0.7738000      -2.971400       1.461500    
 H   -5.449300       2.095900     -0.7937000    
 H   -4.804900       2.599200      0.7741000    
 H   -6.327600       1.696000      0.6921000    


%chk=000049860-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000049860

0 1
S -2.756149 0.766675 0.041342
O -1.729474 1.532163 1.078996
O -3.106915 1.472972 -1.399541
O 1.356330 -2.116471 -0.965700
N 2.463053 -0.117477 -0.540046
C -2.046132 -1.081191 -0.319579
C -1.150106 -0.927777 -1.554835
C 2.565660 1.357705 -0.471257
C 3.680613 -0.832000 -0.087092
C 0.100211 -0.037741 -1.354364
C 2.896628 1.817237 0.969250
C 4.041781 -0.425031 1.360241
C 4.172077 1.111990 1.489716
C -1.446727 -1.616255 0.984650
C 1.346651 -0.838630 -0.936995
C -4.453957 0.549582 0.983242
C -1.149268 -3.133768 0.879123
C -4.908224 1.930851 1.446384
H -2.988632 -1.600916 -0.582270
H -0.818971 -1.941378 -1.854336
H -1.765702 -0.511098 -2.372180
H 0.321931 0.483277 -2.305751
H -0.111984 0.756722 -0.614132
H 1.633837 1.824280 -0.820789
H 3.378754 1.683344 -1.155123
H 3.479484 -1.911682 -0.172575
H 4.518618 -0.575637 -0.769261
H 3.027645 2.916165 0.977489
H 2.036591 1.583667 1.626417
H 3.251711 -0.792442 2.043859
H 4.987088 -0.921617 1.651644
H 5.046102 1.455001 0.897123
H 4.366479 1.396241 2.540852
H -2.149092 -1.438588 1.823391
H -0.522793 -1.064683 1.230862
H -4.230877 -0.145274 1.809033
H -5.109254 0.086546 0.228047
H -2.055774 -3.706100 0.604875
H -0.791973 -3.513365 1.853504
H -0.361508 -3.319985 0.130350
H -5.076014 2.600202 0.585455
H -4.153008 2.389550 2.107682
H -5.856211 1.839938 2.007999


