%chk=000131742.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131742

0 1
 I   -1.314500       2.054500       2.897800    
 I  -0.3821000       1.887300      -3.131100    
 I    1.622200      -2.766400      0.3942000    
 I    5.435500       1.976700      0.8545000    
 S    5.177400      -1.606700     -0.5459000    
 O   0.1273000       2.398300      2.2399999E-02
 O   -3.666000      -2.066200       1.246000    
 O    4.351900      -1.070500      0.7683000    
 O   -5.915600      -2.057000       1.468200    
 O    6.229300      -2.693600      6.8000004E-02
 O    4.263900      -2.315900      -1.422800    
 O    5.954800     -0.4930000      -1.057700    
 N   -6.149800      -1.927500      -1.334200    
 C   -5.001000      0.1497000     -0.7084000    
 C   -3.629700      0.7503000     -0.5130000    
 C   -4.994700      -1.383800     -0.6647000    
 C   -2.828500      0.9876000      -1.618600    
 C   -3.197500       1.053700      0.7682000    
 C   -1.112800       1.853600     -0.1544000    
 C   -1.930700       1.609100      0.9488000    
 C   -1.561700       1.542900      -1.437900    
 C   -4.920600      -1.862400      0.7778000    
 C    1.186000       1.529100      0.2096000    
 C    2.458400       2.042700      0.3921000    
 C   0.9490000      0.1652000      0.2099000    
 C    3.305900     -0.2116000      0.5838000    
 C    2.017100     -0.7119000      0.3986000    
 C    3.526500       1.165700      0.5806000    
 H   -5.386300      0.5014000      -1.675900    
 H   -5.692200      0.5590000      4.1400000E-02
 H   -4.110500      -1.775100      -1.184400    
 H   -3.189800      0.7380000      -2.613100    
 H   -3.846500      0.8642000       1.619600    
 H   -6.091500      -2.944800      -1.361200    
 H   -6.170800      -1.619300      -2.305500    
 H    2.607100       3.119400      0.3858000    
 H  -3.3100002E-02 -0.2728000      7.0400000E-02
 H   -3.667300      -2.373400       2.177500    
 H    6.719100      -2.398200      0.8711000    


%chk=000131742-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000131742

0 1
I -1.489093 1.947335 3.039103
I -0.013398 1.552523 -2.935069
I 2.133377 -3.098231 0.556867
I 5.562418 1.962965 1.279990
S 5.675192 -1.763191 -0.830698
O 0.231163 2.104207 0.291023
O -4.543957 -2.988435 0.544669
O 4.647967 -1.174239 1.160222
O -5.531038 -1.157082 1.585333
O 7.315511 -1.055427 -0.337473
O 6.042824 -3.255430 -1.325172
O 4.914220 -0.754386 -1.859462
N -6.643456 -1.565015 -1.405969
C -5.134417 0.347573 -0.949340
C -3.722000 0.803810 -0.618057
C -5.309639 -1.193671 -0.899580
C -2.755335 0.929263 -1.647894
C -3.347986 1.095185 0.718717
C -1.063957 1.603443 -0.012075
C -2.029083 1.492904 1.017809
C -1.435731 1.329115 -1.351404
C -5.132607 -1.718734 0.537869
C 1.295651 1.220596 0.484634
C 2.549676 1.844740 0.724053
C 1.150228 -0.190683 0.449199
C 3.599045 -0.413274 0.916555
C 2.281236 -0.983886 0.657711
C 3.672665 1.043626 0.917861
H -5.416012 0.657113 -1.970671
H -5.855679 0.801209 -0.244141
H -4.553384 -1.679121 -1.539293
H -3.038797 0.726641 -2.685455
H -4.089746 1.003144 1.517127
H -7.425828 -1.188749 -0.860921
H -6.756202 -2.554595 -1.642362
H 2.595609 2.935783 0.738639
H 0.173759 -0.638928 0.252992
H -4.510250 -3.341486 1.476047
H 7.095253 -0.288306 0.274416


