%chk=000011043.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000011043

0 1
 I   -1.925100      -3.783100     -2.4000001E-03
 S    2.613700     -0.3977000     -8.0100000E-02
 O    3.039800      0.1532000       1.396100    
 O   -3.268800     -0.8379000      3.7700001E-02
 O    3.106200      -1.759600     -0.1904000    
 O    2.966700      0.6093000      -1.064100    
 N   -2.159100       1.641600      2.5500000E-02
 C   5.0000001E-02  0.6799000     -2.3900000E-02
 C   0.8587000     -0.4691000     -4.5000002E-02
 C   -1.355400      0.5614000      4.6000001E-03
 C   0.2825000      -1.736100     -3.7999999E-02
 C   -1.904800     -0.7176000      1.1200000E-02
 C   0.6036000       1.967300     -3.0500000E-02
 C   -1.101000      -1.860100     -9.8999999E-03
 C  -0.2220000       3.082200     -9.1000004E-03
 C   -1.584900       2.866400      1.8300001E-02
 H   0.8945000      -2.633200     -5.0999999E-02
 H    1.666600       2.169300     -3.5000001E-03
 H   0.1883000       4.085200     -2.6000000E-03
 H   -2.279500       3.699800      3.8800001E-02
 H    2.778300     -0.4208000       2.154000    
 H   -3.493100      -1.784300      3.8600001E-02


%chk=000011043-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000011043

0 1
I -2.101269 -3.845192 -0.070408
S 2.669092 -0.528610 -0.032084
O 2.857644 0.015892 1.739092
O -3.391686 -0.789026 -0.033511
O 3.193355 -2.051410 -0.192536
O 3.300456 0.638089 -0.962710
N -2.243645 1.663481 -0.003391
C 0.040810 0.688395 -0.014791
C 0.791187 -0.525202 -0.028396
C -1.406544 0.567812 -0.017382
C 0.217954 -1.791162 -0.035260
C -2.017415 -0.750048 -0.031073
C 0.593201 2.011332 0.000718
C -1.195417 -1.896024 -0.043584
C -0.269876 3.107238 0.015294
C -1.682313 2.887158 0.012719
H 0.858030 -2.678972 -0.041692
H 1.677685 2.148733 -0.012359
H 0.119553 4.129305 0.026193
H -2.377601 3.734294 0.023544
H 3.838162 0.113205 1.920062
H -3.716163 -1.733188 -0.044145


