%chk=000154959.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000154959

0 1
 I   0.7939000       5.164700      0.4832000    
 S   -5.783000      0.1081000     -0.8119000    
 O   -1.648700     -0.7085000       2.774700    
 O   -7.096300     -0.4002000      -1.162200    
 O   -5.578500      0.8273000      0.4298000    
 N   0.5514000     -0.3918000       1.049100    
 N    4.246800      0.1373000     -0.8564000    
 N   -4.642200      -1.171500     -0.9773000    
 C    1.804000     -0.2115000      0.4026000    
 C    2.240100       1.077800      8.0600001E-02
 C    2.590600      -1.326100      9.4599999E-02
 C    3.485400       1.207500     -0.5574000    
 C    3.822100      -1.102300     -0.5439000    
 C  -0.7455000     -0.5859000      0.5554000    
 C    1.470200       2.215600      0.3782000    
 C    2.177100      -2.633000      0.4066000    
 C   -1.832300     -0.7418000       1.424600    
 C   -3.326400     -0.9732000     -0.4599000    
 C  -0.9639000     -0.6259000     -0.8272000    
 C    3.925000       2.488500     -0.8806000    
 C    4.609700      -2.207900     -0.8531000    
 C   -3.117900     -0.9346000      0.9188000    
 C   -2.249400     -0.8188000      -1.332800    
 C    1.932500       3.485200      4.4500001E-02
 C    2.983200      -3.721400      8.6700000E-02
 C    3.162400       3.621500     -0.5864000    
 C    4.202000      -3.508100     -0.5444000    
 C   -5.265800       1.164700      -2.146200    
 C   -1.746300      0.5642000       3.410200    
 H   0.6302000     -0.4099000       2.061600    
 H   0.5076000       2.123100      0.8758000    
 H    1.232300      -2.835400      0.9043000    
 H  -0.1453000     -0.5082000      -1.532600    
 H    4.885500       2.621300      -1.375300    
 H    5.569000      -2.066900      -1.347700    
 H   -3.950000      -1.067700       1.606200    
 H   -2.400600     -0.8459000      -2.408900    
 H    2.662300      -4.729600      0.3297000    
 H    3.551500       4.598900     -0.8603000    
 H    4.838800      -4.350400     -0.7982000    
 H   -4.665000      -1.662200      -1.881300    
 H   -5.297000      0.6003000      -3.080100    
 H   -5.963500       2.003600      -2.199200    
 H   -4.260400       1.537100      -1.943500    
 H   -2.755200      0.9726000       3.293400    
 H   -1.010100       1.262700       3.000300    
 H   -1.544800      0.4308000       4.476600    


%chk=000154959-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000154959

0 1
I 0.037836 4.652716 -1.427026
S -5.833810 0.984906 -0.549407
O -1.479791 -1.095422 2.430301
O -7.268406 0.948398 -1.317020
O -5.735550 0.929739 1.077074
N 0.547375 -0.676482 0.818037
N 4.441447 0.108758 -0.850643
N -4.733614 -0.650863 -1.217789
C 1.806278 -0.401531 0.237710
C 2.080643 0.819579 -0.460973
C 2.867951 -1.347941 0.419603
C 3.417767 1.002250 -1.017290
C 4.182538 -1.027338 -0.127098
C -0.722536 -0.625353 0.225936
C 1.130121 1.894161 -0.577212
C 2.691019 -2.607406 1.091653
C -1.844596 -0.860434 1.094105
C -3.393410 -0.616885 -0.783323
C -0.968836 -0.416432 -1.156552
C 3.702318 2.207417 -1.752367
C 5.266062 -1.951532 0.075970
C -3.153313 -0.869113 0.603905
C -2.284617 -0.374005 -1.648706
C 1.466566 3.046680 -1.276501
C 3.763151 -3.480494 1.264878
C 2.752422 3.212922 -1.893515
C 5.066628 -3.144501 0.763954
C -4.928130 2.612892 -1.077330
C -2.562882 -1.324274 3.397730
H 0.537485 -1.061725 1.768601
H 0.152343 1.800607 -0.101377
H 1.696604 -2.898552 1.447249
H -0.126907 -0.275924 -1.839528
H 4.704264 2.305702 -2.180426
H 6.240187 -1.673294 -0.337200
H -4.015508 -1.056683 1.247257
H -2.458069 -0.184268 -2.714949
H 3.611024 -4.438256 1.774068
H 2.982959 4.125516 -2.449895
H 5.898506 -3.841251 0.912813
H -4.833668 -0.557638 -2.249606
H -5.035668 2.691803 -2.167729
H -5.456924 3.415639 -0.544700
H -3.883015 2.515511 -0.752446
H -3.124228 -2.243896 3.148032
H -3.251772 -0.460291 3.422473
H -2.062743 -1.439308 4.369958


