%chk=000130614.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130614

0 1
 I   -6.990200      -2.092100      -2.798100    
 S   -1.557000      0.1204000     -0.2713000    
 O    5.453800       1.305600      0.2190000    
 O    5.301600      -2.285500      0.1790000    
 O    7.468000     -0.8535000      0.9803000    
 O    6.605200       2.951000      -1.737900    
 O   -4.071200      -2.294300      -1.376300    
 O   -6.390100       2.619800       1.760700    
 O   -8.089000       2.183100      0.4407000    
 N    3.344400      0.2225000      0.1321000    
 N    1.516500      0.9496000     -0.9206000    
 N    2.320900      -1.255100       1.766600    
 N  -0.1089000      -1.283300       1.539700    
 N   -6.930200       1.938900      0.8557000    
 C    5.476600     -0.9909000     -0.3594000    
 C    4.758800      6.7699999E-02  0.4640000    
 C    6.911500     -0.5070000     -0.2880000    
 C    6.747400       1.008200     -0.3556000    
 C    6.775000       1.545000      -1.779700    
 C    2.285200     -0.3901000      0.7418000    
 C    2.830000       1.017400     -0.8594000    
 C    1.162700      7.3399998E-02  7.4600004E-02
 C  -6.9399998E-02 -0.4059000      0.5080000    
 C    1.071200      -1.647900       2.096700    
 C   -2.829500     -0.7862000      0.6616000    
 C   -4.217200     -0.4894000      0.1638000    
 C   -4.787000      -1.263000     -0.8401000    
 C   -4.918000      0.5694000      0.7289000    
 C   -6.207700      0.8586000      0.2833000    
 C   -6.076600     -0.9736000      -1.286000    
 C   -6.787000      8.7200001E-02 -0.7242000    
 H    5.126300     -0.9926000      -1.398100    
 H    4.811000     -0.1362000       1.540600    
 H    7.553400     -0.9341000      -1.063600    
 H    7.489400       1.534900      0.2551000    
 H    5.967700       1.130800      -2.391900    
 H    7.731400       1.327600      -2.264300    
 H    5.662900      -2.287200       1.081700    
 H    8.369000     -0.4889000       1.010700    
 H    3.453100       1.617800      -1.508100    
 H    5.754300       3.130700      -1.302600    
 H    1.001800      -2.351300       2.919500    
 H   -2.756100     -0.5130000       1.721500    
 H   -2.627800      -1.862400      0.6118000    
 H   -4.446100       1.157700       1.512200    
 H   -7.791800      0.3032000      -1.081000    
 H   -4.616700      -2.722700      -2.058300    


%chk=000130614-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000130614

0 1
I -5.027533 -3.280581 -2.099641
S -1.674154 1.368059 0.374678
O 5.495376 0.819772 0.361077
O 4.700948 -2.308310 -1.444786
O 6.981373 -2.018836 -0.142705
O 7.221231 2.920830 -0.332607
O -2.884614 -1.751038 -0.081960
O -7.794132 2.214828 0.647130
O -8.722243 0.731623 -0.819718
N 3.226767 0.230984 -0.064833
N 1.451347 1.492530 -0.802605
N 2.087775 -1.065473 1.715937
N -0.283499 -0.487423 1.891570
N -7.740489 1.157150 -0.093967
C 5.149622 -0.957886 -1.222709
C 4.570785 -0.299041 0.066744
C 6.679071 -0.843607 -0.978043
C 6.843524 0.488703 -0.214763
C 7.248212 1.679200 -1.098043
C 2.128339 -0.145504 0.717612
C 2.756637 1.217874 -0.952105
C 1.034424 0.642384 0.239650
C -0.210228 0.424814 0.884589
C 0.841217 -1.178808 2.258070
C -3.002783 0.555071 1.489611
C -4.181428 0.109684 0.668848
C -4.087568 -1.074536 -0.130077
C -5.388897 0.831245 0.669287
C -6.479462 0.388645 -0.110222
C -5.202609 -1.494303 -0.909334
C -6.404798 -0.772273 -0.909597
H 4.851807 -0.376477 -2.111979
H 4.553923 -1.026377 0.900378
H 7.259473 -0.871495 -1.920239
H 7.545460 0.389238 0.634004
H 6.578138 1.738390 -1.984976
H 8.290278 1.568552 -1.445879
H 5.256230 -2.894330 -0.860202
H 7.955582 -2.146820 -0.045891
H 3.411768 1.716551 -1.662356
H 6.342650 2.970638 0.127924
H 0.722797 -1.896930 3.073538
H -3.292924 1.309760 2.235348
H -2.460825 -0.276127 1.976572
H -5.498533 1.740153 1.267272
H -7.273295 -1.074497 -1.498835
H -2.893143 -2.551707 -0.676666


