%chk=000122196.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000122196

0 1
 I  -0.2327000       2.269000      -2.859300    
 I   -1.145000       1.629400       3.141200    
 I    1.734600      -2.842600     -3.0000001E-04
 S    5.743400      -1.020800     -0.4633000    
 O   0.2921000       2.342900      0.3319000    
 O   -3.643000      -2.288300      0.9339000    
 O   -5.903400      -2.269600       1.123500    
 O    4.500400      -1.209900      0.5947000    
 O    6.719000      -2.292100     -0.1523000    
 O    5.239200      -1.166000      -1.816500    
 O    6.463500      0.1808000     -8.3800003E-02
 N   -6.082500      -1.666800      -1.547700    
 C   -4.865800      0.2745000     -0.6725000    
 C   -4.874900      -1.253300     -0.8366000    
 C   -3.485400      0.8281000     -0.4036000    
 C   -3.047000      0.9496000      0.9045000    
 C   -2.685900       1.202800      -1.470800    
 C  -0.9555000       1.842400      8.9000002E-02
 C   -1.411900       1.713600      -1.222800    
 C   -1.772900       1.460300       1.152700    
 C   -4.891400      -1.971600      0.5018000    
 C    1.340000       1.443300      0.3954000    
 C    1.086200      9.4700001E-02  0.2138000    
 C    2.619100       1.912700      0.6399000    
 C    3.439200     -0.3567000      0.5240000    
 C    2.143900     -0.8123000      0.2785000    
 C    3.676800       1.005800      0.7047000    
 H   -5.547000      0.5838000      0.1322000    
 H   -5.250800      0.7590000      -1.580900    
 H   -4.013800      -1.606500      -1.415600    
 H   -3.695100      0.6506000       1.724500    
 H   -3.053500       1.094100      -2.488100    
 H   -6.093500      -1.244500      -2.475700    
 H   -6.907200      -1.305400      -1.069000    
 H   9.8499998E-02 -0.3090000      2.0700000E-02
 H    2.803700       2.972200      0.7902000    
 H    4.662100       1.392400      0.9402000    
 H   -3.662600      -2.762900       1.792100    
 H    6.904400      -2.456800      0.8020000    


%chk=000122196-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000122196

0 1
I -0.014078 2.135015 -2.693228
I -1.286924 1.490823 3.305092
I 2.188381 -3.092322 0.191534
S 6.173905 -1.180770 -0.938648
O 0.342275 2.129289 0.556169
O -4.339731 -2.994546 0.003964
O -5.313691 -1.433074 1.427149
O 4.769270 -1.219633 0.859526
O 7.511777 -1.362057 0.324485
O 6.489643 -2.307815 -2.056083
O 6.072732 0.371372 -1.420640
N -6.563548 -1.267108 -1.530722
C -5.056806 0.549433 -0.775544
C -5.210710 -0.974934 -1.022717
C -3.636514 0.959398 -0.417987
C -3.215976 1.017589 0.935123
C -2.708319 1.273488 -1.442985
C -0.961922 1.672524 0.226895
C -1.381207 1.628674 -1.125657
C -1.890182 1.375580 1.254154
C -4.954753 -1.766211 0.273368
C 1.410544 1.228827 0.605476
C 1.245336 -0.172685 0.433612
C 2.686260 1.815106 0.835837
C 3.695218 -0.446579 0.749448
C 2.374804 -0.996876 0.491327
C 3.805640 0.990488 0.894224
H -5.752278 0.841670 0.033201
H -5.386237 1.047141 -1.703960
H -4.480850 -1.308298 -1.779609
H -3.927282 0.777135 1.730293
H -3.027668 1.252589 -2.489665
H -7.321896 -1.020713 -0.886432
H -6.677151 -2.193971 -1.950264
H 0.252096 -0.589732 0.251046
H 2.757027 2.900525 0.942713
H 4.807598 1.402408 1.043774
H -4.252473 -3.521692 0.845227
H 7.022990 -1.243156 1.193100


