%chk=000071309.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000071309

0 1
 S   0.6452000      0.6760000      -1.904800    
 S   -3.779000     -0.2362000     -0.2690000    
 S    3.111700      -3.553600      -1.429300    
 O    1.118200       3.105500       2.030600    
 O   -1.882600       3.928500       1.405300    
 O   -2.553600       1.824600       1.999900    
 O    4.774100       1.757300      -1.332700    
 O    6.407600      -1.509500      0.8329000    
 O   -6.105100      0.6280000      -1.106100    
 O   -7.562400      -1.546800     -0.1419000    
 N   9.1700003E-02   2.416000      2.2700001E-02
 N    2.938100       1.268200      4.5699999E-02
 N    5.971600     -0.2182000      0.5048000    
 N    3.842200      -2.347900      0.7375000    
 N    2.831900      -4.462000       1.054300    
 C   0.9074000       2.307600      -1.173000    
 C    2.127700       2.452300     -0.2374000    
 C    1.082500       2.769500      0.8700000    
 C   -1.245900       2.183700      4.7499999E-02
 C   -1.872900       1.550900     -0.9727000    
 C   -1.137300      0.9602000      -2.173500    
 C   -3.364000       1.328700      -1.056400    
 C   -1.971400       2.591800       1.259700    
 C    4.175500       1.052700     -0.5360000    
 C    4.818300     -0.2360000     -9.2600003E-02
 C    4.171100      -1.530900     -0.3267000    
 C   -5.537200     -0.2687000     -0.4916000    
 C   -6.221100      -1.446300      5.0299998E-02
 C    3.853000      -2.014300      -1.578500    
 C    3.278300      -3.441500      0.2749000    
 C   -5.751200      -2.531100      0.7535000    
 C   -6.876000      -3.350800       1.009900    
 C   -7.953300      -2.708600      0.4450000    
 C    7.666900      -1.398800       1.477900    
 H   0.7725000       3.151300      -1.860200    
 H    2.749000       3.326500     -0.4690000    
 H   -1.263500       1.622800      -3.036900    
 H   -1.561400     -1.3800000E-02  -2.438400    
 H    2.590300      0.5667000      0.6955000    
 H   -3.904400       2.141700     -0.5590000    
 H   -3.692000       1.329700      -2.102100    
 H   -2.354600       4.245100       2.204800    
 H    4.013000      -1.556200      -2.544500    
 H   -4.732800      -2.728800       1.056200    
 H   -6.899000      -4.291700       1.540300    
 H   -9.007400      -2.934700      0.3775000    
 H    8.012800      -2.403000       1.736700    
 H    7.573600     -0.8117000       2.396800    
 H    8.398600     -0.9370000      0.8079000    
 H    2.401300      -5.290000      0.6560000    
 H    2.910600      -4.435900       2.065600    


%chk=000071309-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000071309

0 1
S 0.042293 0.539545 -1.459679
S -4.589305 0.559652 0.407963
S 2.301534 -3.728892 0.226001
O 1.007140 2.291234 2.569301
O -1.210023 4.310685 2.140459
O -3.231086 3.164310 2.161662
O 4.597383 1.925315 -0.743743
O 6.645804 -1.713616 -0.431449
O -4.806821 -0.034515 -2.285095
O -6.214709 -2.460289 -1.858960
N -0.105068 2.586529 0.404833
N 2.730725 0.880277 0.171456
N 6.036722 -0.417181 -0.466675
N 4.395985 -2.434884 1.318014
N 3.794722 -4.419666 2.510295
C 0.678957 2.187583 -0.781626
C 1.953132 2.090007 0.144000
C 0.960210 2.339948 1.333464
C -1.512736 2.610991 0.496539
C -2.292659 1.989025 -0.461348
C -1.721028 1.218930 -1.641728
C -3.797848 2.065203 -0.469158
C -2.094303 3.345612 1.660046
C 4.051970 0.878315 -0.290814
C 4.741217 -0.466634 -0.194375
C 3.993022 -1.695997 0.188498
C -5.092525 -0.407120 -1.117815
C -5.838893 -1.618150 -0.783763
C 2.903534 -2.196901 -0.511634
C 3.647507 -3.510356 1.491819
C -6.301329 -2.170473 0.413254
C -6.985404 -3.391690 0.083751
C -6.910490 -3.530487 -1.297644
C 8.090141 -1.548849 -0.701232
H 0.692864 2.932102 -1.591279
H 2.648148 2.929604 -0.037207
H -1.740186 1.850810 -2.549452
H -2.355666 0.341793 -1.853660
H 2.322009 0.014666 0.533237
H -4.200214 2.931082 0.070480
H -4.189511 2.013665 -1.500479
H -1.585059 4.720130 2.965946
H 2.441035 -1.817831 -1.420440
H -6.168187 -1.743152 1.405518
H -7.471032 -4.076902 0.774872
H -7.271713 -4.276214 -2.000780
H 8.484519 -2.576663 -0.725723
H 8.565393 -0.967388 0.106703
H 8.243839 -1.045006 -1.670402
H 3.179814 -5.220864 2.612350
H 4.542772 -4.265993 3.183097


