%chk=000108447.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000108447

0 1
 S   0.6581000      -1.365700       1.561800    
 O   0.5087000       1.596100       1.155900    
 O    1.399400     -0.4518000       2.412800    
 O   6.3299999E-02  -2.567300       2.118200    
 O   -3.798900      -2.424800     -0.9098000    
 O   -5.237400     -0.6835000     -0.4654000    
 O   -2.632100       3.637200     -0.4135000    
 O  -0.6109000       3.654300      0.4432000    
 N    1.562900      -1.727800      0.2527000    
 N   -1.641500       3.043300      7.4000001E-02
 N    3.558300      -2.825700     -0.5309000    
 C  -0.6941000     -0.4490000      0.8779000    
 C  -0.6111000      0.9269000      0.7541000    
 C   -1.688800       1.628600      0.2135000    
 C   -1.822000      -1.145300      0.4776000    
 C   -2.899500     -0.4437000     -6.3000001E-02
 C   -2.832900      0.9433000     -0.1950000    
 C    1.512400       1.781500      0.2227000    
 C   -4.094000      -1.158100     -0.4851000    
 C    2.649000      -2.410300      0.4236000    
 C    1.342500       1.288600      -1.059300    
 C    2.663500       2.454700      0.5934000    
 C    2.355300       1.474600      -2.000300    
 C    3.676300       2.640900     -0.3475000    
 C    3.522100       2.150800      -1.644200    
 C    4.740100      -3.592500     -0.1628000    
 C    3.247200      -2.744800      -1.951000    
 C   -4.896000      -3.230400      -1.353600    
 H   -1.870100      -2.225000      0.5845000    
 H   -3.684000       1.469500     -0.6216000    
 H    2.957300      -2.719500       1.438800    
 H   0.4657000      0.7549000      -1.407600    
 H    2.784900       2.836100       1.602700    
 H    2.236800       1.092200      -3.010000    
 H    4.585100       3.167000     -7.0100002E-02
 H    4.310900       2.295100      -2.376600    
 H    5.123500      -3.279000      0.8141000    
 H    4.495900      -4.658300     -0.1148000    
 H    5.547600      -3.452100     -0.8888000    
 H    4.154900      -2.774300      -2.562700    
 H    2.606700      -3.583100      -2.242700    
 H    2.727800      -1.810500      -2.187800    
 H   -5.609600      -3.377800     -0.5376000    
 H   -5.383600      -2.762400      -2.213900    
 H   -4.502500      -4.203900      -1.657800    


%chk=000108447-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000108447

0 1
S 0.248421 -2.619656 1.209332
O 0.932927 0.314534 0.788978
O 0.929460 -2.246657 2.648001
O -0.658416 -3.960111 1.085493
O -4.844286 -2.220475 -0.220549
O -5.369915 -0.045300 -0.880714
O -1.642168 3.243936 -0.937442
O -0.048177 2.976884 0.674684
N 1.501204 -2.597882 -0.187435
N -0.974396 2.524156 -0.100015
N 3.821722 -2.290441 -0.477988
C -0.898727 -1.210611 0.623330
C -0.396865 0.101065 0.456883
C -1.327221 1.087446 0.003551
C -2.219039 -1.571752 0.353001
C -3.114563 -0.581158 -0.125471
C -2.658776 0.741601 -0.299450
C 1.818213 1.043473 -0.066234
C -4.540754 -0.883256 -0.451473
C 2.712386 -2.315255 0.310129
C 1.723153 0.958111 -1.470963
C 2.853634 1.748893 0.575493
C 2.692111 1.628994 -2.251537
C 3.818273 2.403865 -0.220286
C 3.739153 2.351151 -1.632977
C 5.115144 -1.818100 0.041462
C 3.720464 -2.571101 -1.920932
C -6.240274 -2.624326 -0.517015
H -2.537129 -2.610731 0.489321
H -3.347742 1.511674 -0.659919
H 2.863567 -2.084391 1.379385
H 0.932227 0.367919 -1.945318
H 2.872643 1.797181 1.667579
H 2.625887 1.582682 -3.343962
H 4.619955 2.971268 0.264252
H 4.481650 2.873875 -2.244788
H 5.064063 -1.707876 1.136765
H 5.911834 -2.544610 -0.202895
H 5.382089 -0.837020 -0.397128
H 3.694460 -1.630069 -2.503897
H 4.588842 -3.171447 -2.244825
H 2.789887 -3.129526 -2.108375
H -6.941919 -2.046483 0.107222
H -6.467713 -2.446785 -1.581348
H -6.278091 -3.694690 -0.273820


