%chk=000134239.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000134239

0 1
 I   -9.675800       1.397800      0.2105000    
 S   -3.708100      -1.491500     -3.4200002E-02
 O   -3.275500      -1.740800       1.327600    
 O   -3.807100      -2.586300     -0.9803000    
 O    11.22930      6.9399998E-02 -0.2477000    
 O    9.978300      -1.537700      0.7552000    
 N   -2.751700     -0.2610000     -0.7134000    
 C    2.442900      0.4540000      0.1140000    
 C    1.276100       1.377900     -0.2456000    
 C    3.810700       1.012000     -0.2972000    
 C  -9.5299996E-02  0.7875000      0.1021000    
 C    4.983100      0.1256000      0.1322000    
 C   -1.268400       1.673200     -0.3312000    
 C    6.350700      0.6846000     -0.2769000    
 C   -2.621700       1.039800     -2.1900000E-02
 C    7.527000     -0.1855000      0.1796000    
 C    8.873400      0.3595000     -0.3010000    
 C   -5.298000     -0.7216000      3.1199999E-02
 C    10.04930     -0.4895000      0.1292000    
 C   -6.173100     -0.8357000      -1.049000    
 C   -5.677900     -7.9999998E-04   1.163400    
 C   -7.427900     -0.2289000     -0.9970000    
 C   -6.932700      0.6060000       1.215400    
 C   -7.807800      0.4920000      0.1351000    
 H    2.297000     -0.5203000     -0.3683000    
 H    2.435500      0.2756000       1.196300    
 H    1.398600       2.337000      0.2722000    
 H    1.310100       1.591700      -1.321100    
 H    3.937600       2.009100      0.1424000    
 H    3.833600       1.140700      -1.386300    
 H  -0.1500000      0.6172000       1.184400    
 H  -0.1752000     -0.1958000     -0.3766000    
 H    4.958600      1.1000000E-03   1.221800    
 H    4.858100     -0.8733000     -0.3036000    
 H   -1.194900       1.864300      -1.409100    
 H   -1.201100       2.644300      0.1729000    
 H    6.467600       1.692600      0.1398000    
 H    6.380000      0.7876000      -1.368700    
 H   -3.421300       1.703700     -0.3661000    
 H   -2.718400      0.9099000       1.060600    
 H    7.527700     -0.2557000       1.274400    
 H    7.392600      -1.206800     -0.1982000    
 H    8.880400      0.4108000      -1.395500    
 H    9.020600       1.368400      0.1009000    
 H   -2.644000     -0.2342000      -1.735100    
 H   -5.895200      -1.386000      -1.943400    
 H   -5.011400      0.1029000       2.014900    
 H   -8.093800     -0.3286000      -1.850600    
 H   -7.208400       1.164000       2.106700    
 H    11.99690     -0.4709000      3.7300002E-02


%chk=000134239-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000134239

0 1
I -10.149879 1.430570 0.171571
S -3.970070 -1.450629 -0.061094
O -3.533001 -1.697744 1.483382
O -4.031023 -2.608638 -1.199063
O 11.463546 0.162517 -0.299603
O 10.246819 -1.410377 0.897401
N -2.770993 -0.233797 -0.704645
C 2.595119 0.420877 0.131085
C 1.392410 1.279144 -0.321468
C 3.957704 0.980956 -0.334867
C 0.033829 0.699548 0.130806
C 5.159177 0.134384 0.141914
C -1.160919 1.587535 -0.275231
C 6.522741 0.688629 -0.328126
C -2.534918 0.984024 0.102242
C 7.716952 -0.156250 0.166825
C 9.067309 0.409707 -0.311326
C -5.694224 -0.645708 -0.000017
C 10.259371 -0.391139 0.173767
C -6.530411 -0.774603 -1.120967
C -6.071967 0.024179 1.174767
C -7.811625 -0.178230 -1.070108
C -7.352504 0.622244 1.220064
C -8.204604 0.520525 0.095784
H 2.471553 -0.612779 -0.253398
H 2.591251 0.341569 1.238257
H 1.509584 2.309805 0.075935
H 1.403445 1.369472 -1.428321
H 4.072998 2.021396 0.035816
H 3.968833 1.042897 -1.443431
H 0.035232 0.576093 1.233628
H -0.107395 -0.311581 -0.295783
H 5.149899 0.077389 1.250340
H 5.041263 -0.907206 -0.222730
H -1.130833 1.785002 -1.367097
H -1.084260 2.576517 0.221677
H 6.634533 1.734071 0.029528
H 6.534428 0.736087 -1.437476
H -3.337571 1.743412 -0.026974
H -2.517690 0.671092 1.162763
H 7.710458 -0.205079 1.272614
H 7.610427 -1.200440 -0.184674
H 9.114476 0.450934 -1.417478
H 9.203716 1.455538 0.028863
H -2.942804 -0.102952 -1.714095
H -6.206549 -1.350533 -1.994283
H -5.402025 0.051402 2.040316
H -8.489148 -0.266725 -1.923698
H -7.677037 1.149397 2.121057
H 12.225378 -0.383203 0.037651


