%chk=000066584.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000066584

0 1
 S    2.513800      -2.685300     -0.1897000    
 S    6.383600       1.033300      0.3273000    
 O    2.045600      -2.915500      -1.736100    
 O    6.962800       1.177900      -1.194700    
 O    3.736200      -3.443800      8.2999999E-03
 O    1.362100      -2.880000      0.6716000    
 O    6.483300       2.347200      0.9460000    
 O    7.012700     -0.1254000      0.9417000    
 O   -6.771200       1.829600      0.1791000    
 N   -1.700600      0.4764000     -0.5226000    
 N   -2.237400      0.3470000      0.6027000    
 N   -7.681900     -0.8268000      1.7000000E-03
 C    1.964800      4.1499998E-02 -0.1600000    
 C    2.381600       1.391200     -7.4600004E-02
 C    2.926700     -0.9795000     -9.3699999E-02
 C    4.689800      0.6528000      0.1391000    
 C    3.747900       1.680000      7.4800000E-02
 C    4.280000     -0.6744000      5.5000000E-02
 C   0.5986000     -0.2472000     -0.3090000    
 C    1.419900       2.412500     -0.1411000    
 C  -0.3435000      0.7800000     -0.3729000    
 C   6.6500001E-02   2.107400     -0.2893000    
 C   -3.601100      4.2100001E-02  0.4519000    
 C   -4.026300      -1.280900      0.3665000    
 C   -5.383600      -1.565000      0.2170000    
 C   -4.523400       1.083400      0.3887000    
 C   -6.310900     -0.5249000      0.1532000    
 C   -5.880900      0.7993000      0.2392000    
 C   -3.052000      -2.411300      0.4323000    
 C   -7.063200       2.358400      -1.112500    
 H    4.068200       2.718300      0.1329000    
 H    5.029400      -1.458500      9.3900003E-02
 H   0.2136000      -1.252500     -0.4311000    
 H    1.717300       3.457100     -7.7799998E-02
 H  -0.6599000       2.914500     -0.3393000    
 H   -5.722300      -2.596400      0.1482000    
 H   -4.190400       2.116400      0.4570000    
 H    2.733900      -2.734000      -2.418600    
 H   -2.403600      -2.314100       1.309500    
 H   -3.557500      -3.379700      0.5146000    
 H   -2.434500      -2.434300     -0.4714000    
 H    6.557000       1.896100      -1.735000    
 H   -8.362200     -7.9200000E-02 -2.9700000E-02
 H   -7.985800      -1.789500     -5.7100002E-02
 H   -7.467600       1.582200      -1.769800    
 H   -6.163800       2.795200      -1.558100    
 H   -7.813700       3.145400     -0.9987000    


%chk=000066584-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000066584

0 1
S 2.360582 -2.507412 0.406138
S 6.489009 1.200470 0.125164
O 1.820788 -2.752756 -1.355633
O 6.813661 0.778180 -1.655395
O 3.689853 -3.382148 0.691503
O 1.061458 -2.710934 1.351454
O 6.723743 2.785527 0.345408
O 7.252873 0.111547 1.045735
O -6.986557 1.427898 -0.262605
N -1.839797 1.073302 -0.251992
N -2.265630 -0.177371 -0.165755
N -7.808409 -1.086413 -0.097978
C 1.870315 0.325909 0.000667
C 2.388142 1.684876 -0.146251
C 2.859297 -0.700670 0.182320
C 4.658623 0.849153 0.065631
C 3.794058 1.921064 -0.115739
C 4.230863 -0.493037 0.215503
C 0.468717 0.103037 -0.037109
C 1.458867 2.762840 -0.327191
C -0.418792 1.185227 -0.215724
C 0.091079 2.520925 -0.359692
C -3.653704 -0.355473 -0.159771
C -4.116884 -1.715058 -0.073805
C -5.503950 -1.948308 -0.053475
C -4.592408 0.728917 -0.225610
C -6.445854 -0.885392 -0.117551
C -5.957129 0.470181 -0.205631
C -3.138612 -2.870829 -0.012394
C -6.582954 2.834521 -0.347618
H 4.190825 2.937196 -0.219292
H 4.936068 -1.317706 0.368851
H 0.046993 -0.897493 0.081811
H 1.848237 3.780704 -0.437934
H -0.633270 3.330274 -0.493562
H -5.875043 -2.977716 0.013998
H -4.181970 1.740795 -0.288372
H 1.456553 -3.683024 -1.428544
H -2.412058 -2.740954 0.807835
H -3.668429 -3.828436 0.128673
H -2.544012 -2.932968 -0.941517
H 7.806897 0.739380 -1.779773
H -8.423663 -0.275991 -0.145170
H -8.204599 -2.020065 -0.033790
H -5.992387 3.019487 -1.264820
H -5.992412 3.128585 0.540651
H -7.520978 3.407159 -0.382245


