%chk=000105929.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000105929

0 1
 S   -7.386000       2.364100     -9.7300000E-02
 S   -7.605900      -3.023300      1.2200000E-02
 O   -7.177300       2.968600      -1.598800    
 O   -7.890300      -3.412600      -1.549900    
 O   -8.796500       2.052000      4.9800001E-02
 O   -6.707700       3.234400      0.8454000    
 O   -6.779100      -4.083400      0.5703000    
 O   -8.875500      -2.670500      0.6282000    
 O    11.06320     -0.1762000     -0.6173000    
 N  -0.9038000      0.5301000     -0.2643000    
 N  -0.4399000      0.5280000      0.9003000    
 N    5.134700      0.1983000      0.7331000    
 N    5.525900      0.1490000     -0.4567000    
 C   -5.101500      0.7783000     -0.1396000    
 C   -4.467500     -0.4869000     -0.1345000    
 C   -6.503800      0.8439000     -9.7700000E-02
 C   -6.646300      -1.565400     -4.6100002E-02
 C   -5.254300      -1.649300     -8.7499999E-02
 C   -7.269800     -0.3212000     -5.1300000E-02
 C   -4.314700       1.940600     -0.1867000    
 C   -3.065200     -0.5526000     -0.1764000    
 C   -2.299100      0.6126000     -0.2228000    
 C   -2.922600       1.856700     -0.2279000    
 C   0.9624000      0.4449000      0.8591000    
 C    1.580900     -0.8014000      0.8647000    
 C    1.721900       1.609800      0.8118000    
 C    3.739200      0.2806000      0.7748000    
 C    2.972600     -0.8838000      0.8224000    
 C    3.113700       1.527400      0.7696000    
 C    9.705000     -9.6600004E-02 -0.5793000    
 C    6.928200      6.6399999E-02 -0.4981000    
 C    8.939000      -1.261400     -0.5324000    
 C    9.079100       1.149800     -0.5858000    
 C    7.547100      -1.179600     -0.4916000    
 C    7.687200       1.231500     -0.5450000    
 C    11.66600      -1.298900      2.4499999E-02
 C    13.04070     -0.9039000      0.5206000    
 H   -4.766300      -2.621900     -9.1200002E-02
 H   -8.354100     -0.2774000     -3.1800002E-02
 H   -4.721100       2.942500     -0.2441000    
 H   -2.565100      -1.519900     -0.1737000    
 H   -2.333200       2.769000     -0.2754000    
 H   -7.534300       2.414200      -2.332000    
 H   -7.088400      -3.608200      -2.089600    
 H   0.9913000      -1.713600      0.9023000    
 H    1.242700       2.585200      0.8080000    
 H    3.450700      -1.859900      0.8279000    
 H    3.702300       2.440500      0.7337000    
 H    9.385200      -2.251200     -0.5536000    
 H    9.670500       2.060600     -0.6219000    
 H    6.957200      -2.091800     -0.4617000    
 H    7.207600       2.206700     -0.5508000    
 H    11.75360      -2.120500     -0.6949000    
 H    11.08600      -1.632100      0.8942000    
 H    13.53760      -1.746300       1.010000    
 H    13.66590     -0.5597000     -0.3099000    
 H    12.97060     -7.3399998E-02   1.231000    


%chk=000105929-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000105929

0 1
S -7.808887 2.547946 -0.299600
S -7.873063 -2.980134 0.307341
O -7.350720 2.817340 -2.078429
O -8.062081 -3.251789 -1.517806
O -9.379419 2.186193 -0.186807
O -7.207029 3.778906 0.561183
O -6.940424 -4.146948 0.925027
O -9.328359 -2.655250 0.931885
O 11.482998 0.182801 -0.000727
N -1.088380 0.864734 -0.013790
N -0.505930 -0.299378 0.161037
N 5.151388 -0.646266 0.201508
N 5.857988 0.447353 0.002048
C -5.372246 0.981447 -0.092406
C -4.705804 -0.308534 0.064850
C -6.802426 0.955708 -0.118919
C -6.874029 -1.405933 0.135718
C -5.493580 -1.501925 0.174446
C -7.582687 -0.187786 -0.016027
C -4.567792 2.162011 -0.204839
C -3.283450 -0.371750 0.097448
C -2.519925 0.802201 -0.021025
C -3.178981 2.067051 -0.172206
C 0.914643 -0.265253 0.156670
C 1.551154 -1.521263 0.361945
C 1.706416 0.911695 -0.039237
C 3.740782 -0.439621 0.174883
C 2.952200 -1.607110 0.372116
C 3.100202 0.825206 -0.030837
C 10.092415 0.137181 0.022052
C 7.263925 0.263877 0.025318
C 9.328516 -1.045909 0.248798
C 9.439638 1.380356 -0.200942
C 7.927795 -0.978468 0.249252
C 8.040870 1.438878 -0.198194
C 12.240535 -1.073346 0.220725
C 13.720144 -0.713990 0.132736
H -5.008393 -2.476059 0.301950
H -8.677773 -0.147388 -0.030710
H -5.047026 3.138568 -0.306212
H -2.770206 -1.331791 0.212548
H -2.549627 2.958115 -0.259653
H -7.812482 3.650447 -2.388699
H -8.703367 -4.009852 -1.650406
H 0.921397 -2.404150 0.509239
H 1.193049 1.865278 -0.194682
H 3.467549 -2.559695 0.528050
H 3.730392 1.706839 -0.179619
H 9.822284 -2.006240 0.422734
H 10.052271 2.270088 -0.371190
H 7.319212 -1.871692 0.420034
H 7.513344 2.382873 -0.367602
H 11.954298 -1.810367 -0.556129
H 11.980328 -1.481859 1.217726
H 14.337227 -1.616680 0.292076
H 13.962494 -0.295590 -0.858678
H 13.987331 0.031726 0.900327


