%chk=000109241.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000109241

0 1
 S    4.246700      -2.257800     -0.4874000    
 O   -1.606800       1.960000       1.420400    
 O    7.009400       1.962200     -0.9583000    
 O    3.304000      -2.545500      -1.788100    
 O    5.569300      -2.775400     -0.7903000    
 O    3.529400      -2.681100      0.7011000    
 N  -0.2786000      6.1400000E-02  0.9276000    
 N  -0.4431000      -1.300600      0.8618000    
 N   -3.485700     -0.1483000      0.4729000    
 N   -4.632800     -5.1800001E-02  0.9683000    
 C    3.289100      0.3161000     -4.2900000E-02
 C   0.9672000      0.6106000      0.6210000    
 C   -2.463400     -0.3157000       1.490400    
 C    3.473200       1.718600      4.1000000E-03
 C    2.029600     -0.2222000      0.2682000    
 C    4.369900     -0.5067000     -0.3994000    
 C   -1.433900      0.7590000       1.296600    
 C   -1.675400      -1.542500       1.179000    
 C    1.148400       1.989700      0.6673000    
 C    2.392600       2.541400      0.3610000    
 C    4.732500       2.256900     -0.3069000    
 C    5.614300      4.5299999E-02 -0.7055000    
 C    5.795100       1.424500     -0.6595000    
 C   -2.264000      -2.909600       1.242000    
 C   -5.587500      0.1095000     -4.9899999E-02
 C   -6.186900      -1.010500     -0.6182000    
 C   -5.926600       1.387700     -0.4832000    
 C   -7.134300     -0.8507000      -1.629600    
 C   -6.874000       1.547400      -1.494600    
 C   -7.477800      0.4281000      -2.067700    
 H   -2.820600     -0.3335000       2.525100    
 H    1.834300      -1.282500      0.1887000    
 H   0.3776000       2.699700      0.9312000    
 H    2.512800       3.622100      0.4034000    
 H    4.890500       3.333500     -0.2755000    
 H    6.459700     -0.5760000     -0.9865000    
 H   -2.695200      -3.073300       2.232900    
 H   -1.495100      -3.663800       1.055100    
 H   -3.049900      -3.005000      0.4885000    
 H    7.628200       1.245200      -1.179700    
 H    3.661800      -2.225800      -2.649700    
 H   -5.925200      -2.010500     -0.2826000    
 H   -5.461400       2.265100     -4.1900001E-02
 H   -7.604400      -1.722100      -2.075900    
 H   -7.141600       2.543100      -1.835800    
 H   -8.215400      0.5525000      -2.855100    


%chk=000109241-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000109241

0 1
S 4.671653 -2.170719 -0.500955
O -1.667702 1.805635 1.331342
O 7.262090 2.352056 -0.357884
O 3.776908 -2.154450 -2.131569
O 6.199101 -2.655899 -0.734652
O 3.743482 -2.976301 0.553404
N -0.211468 0.012735 0.687064
N -0.326627 -1.403014 0.445551
N -3.561742 -0.329251 0.109113
N -4.705361 -0.220172 0.719448
C 3.464109 0.403413 0.072143
C 1.070272 0.613775 0.539163
C -2.456164 -0.573760 1.076035
C 3.630236 1.841033 0.244710
C 2.175275 -0.189636 0.225441
C 4.663712 -0.303882 -0.251558
C -1.440587 0.602496 1.058430
C -1.582694 -1.744937 0.649687
C 1.215798 2.033941 0.713017
C 2.468367 2.617311 0.566998
C 4.909935 2.450539 0.092018
C 5.918164 0.275806 -0.405183
C 6.036691 1.686671 -0.224976
C -2.071270 -3.143892 0.454134
C -5.826993 0.046580 -0.142513
C -7.085127 0.078673 0.511138
C -5.737449 0.282604 -1.543068
C -8.257551 0.335044 -0.230919
C -6.911300 0.540704 -2.274401
C -8.172352 0.565825 -1.623766
H -2.856862 -0.696960 2.104087
H 2.036547 -1.265704 0.111254
H 0.340222 2.637200 0.960447
H 2.580046 3.699123 0.698593
H 5.023294 3.530910 0.223422
H 6.781314 -0.354186 -0.654744
H -2.524985 -3.539442 1.382197
H -1.242514 -3.803452 0.152615
H -2.856260 -3.168529 -0.325079
H 7.993611 1.727447 -0.588106
H 3.522588 -3.101658 -2.335707
H -7.115306 -0.096911 1.591501
H -4.754551 0.265392 -2.023883
H -9.229708 0.359155 0.272355
H -6.852268 0.727675 -3.352263
H -9.080574 0.769712 -2.201679


