%chk=000115005.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000115005

0 1
 S    3.070600       3.033300     -0.3177000    
 O    3.545900       1.473800     -0.2321000    
 O   -3.007400      -2.765400     -0.7455000    
 O    3.367400       3.440200      -1.869400    
 O    1.632400       3.060000     -0.1264000    
 O    3.933300       3.837800      0.5274000    
 O   -4.473400       1.765200      -2.266400    
 O   -5.422900       1.429000       2.241500    
 N    1.705900      -1.388200     -4.5299999E-02
 N  -0.2479000      -2.631500     -0.3896000    
 N    1.953900      -3.599700     -0.4948000    
 N   -3.537500      6.4499997E-02  -1.031800    
 N   -4.962900       1.619400     -1.7500000E-02
 C    1.035400     -0.1211000      0.1455000    
 C    3.127500      -1.466800     -0.2609000    
 C    3.869300     -0.7093000      0.8453000    
 C    1.790200      0.6955000       1.209400    
 C    3.307000      0.7284000      0.9591000    
 C  -0.4159000     -0.3901000      0.5773000    
 C   -1.073700      -1.429400     -0.3460000    
 C    1.123700      -2.597100     -0.3159000    
 C    3.310000      -2.996100     -0.2689000    
 C    5.377600     -0.7212000      0.5958000    
 C   -2.473600      -1.785800      0.1383000    
 C   -3.368000     -0.5922000      0.1645000    
 C   -3.979500     -0.1691000       1.279200    
 C   -4.332700       1.190100      -1.186400    
 C   -4.854700       1.025900       1.230900    
 H    1.029400      0.4212000     -0.8076000    
 H    3.369600      -1.062000      -1.252000    
 H    3.687200      -1.210000       1.806700    
 H    1.319500       1.653500       1.418900    
 H    1.668200      0.1641000       2.167200    
 H    3.803100       1.240300       1.792800    
 H  -0.4300000     -0.7648000       1.610300    
 H  -0.9651000      0.5581000      0.5709000    
 H   -1.097900      -1.038100      -1.370800    
 H    3.989500      -3.304300      -1.070100    
 H    3.702600      -3.373900      0.6819000    
 H  -0.7070000      -3.507400     -0.6230000    
 H    5.628900     -0.2659000     -0.3679000    
 H    5.901800     -0.1642000       1.379500    
 H    5.767700      -1.744000      0.5970000    
 H   -2.419900      -2.258200       1.127100    
 H   -3.003200      -2.403400      -1.647800    
 H   -3.063500     -0.2948000      -1.854400    
 H   -3.860400     -0.6695000       2.233200    
 H    4.256300       3.182700      -2.209800    
 H   -5.555200       2.441900     -8.8900000E-02


%chk=000115005-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000115005

0 1
S 3.382484 3.255371 -0.376690
O 3.656960 1.364255 -0.405763
O -3.017239 -2.935123 -0.523954
O 4.427434 3.518852 -1.862127
O 1.900209 3.693254 -0.810081
O 4.047176 3.853701 0.967753
O -4.680201 1.778985 -2.251109
O -6.043354 1.116439 2.187920
N 1.707712 -1.338395 -0.058518
N -0.286730 -2.618351 -0.276201
N 1.912594 -3.590099 -0.530263
N -3.648633 0.105928 -0.977220
N -5.352632 1.417818 -0.024963
C 1.051587 -0.047333 0.147131
C 3.156755 -1.464007 -0.312123
C 3.952084 -0.717194 0.781467
C 1.859712 0.738228 1.212157
C 3.375925 0.727487 0.910614
C -0.411387 -0.302838 0.582695
C -1.085243 -1.386022 -0.298930
C 1.093099 -2.568088 -0.307004
C 3.296976 -3.026143 -0.360312
C 5.469358 -0.739979 0.517317
C -2.502290 -1.757246 0.218261
C -3.502144 -0.616029 0.215027
C -4.284950 -0.311528 1.303063
C -4.580196 1.156992 -1.163660
C -5.283105 0.760816 1.246313
H 1.062087 0.541887 -0.798015
H 3.411528 -0.999373 -1.292690
H 3.740444 -1.206567 1.757122
H 1.488531 1.779133 1.270104
H 1.707849 0.273513 2.206167
H 3.928792 1.277275 1.698706
H -0.426863 -0.647250 1.634764
H -0.976902 0.644038 0.522537
H -1.163816 -0.993589 -1.345043
H 3.942730 -3.364183 -1.188265
H 3.737777 -3.406937 0.586740
H -0.750518 -3.497830 -0.511478
H 5.706729 -0.293044 -0.463756
H 6.018024 -0.174386 1.292305
H 5.849859 -1.776978 0.525506
H -2.400351 -2.134456 1.248439
H -3.413390 -2.652581 -1.388399
H -3.032212 -0.054597 -1.777437
H -4.201434 -0.872020 2.234618
H 5.222818 2.917916 -1.756813
H -6.042043 2.171675 -0.113113


