%chk=000124212.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124212

0 1
 S  -0.4140000       2.130700     -0.7012000    
 O   -1.403800     -0.2782000       1.898900    
 O   -4.356500      -1.477300     -0.8177000    
 O    1.745700       4.228000      -1.191000    
 O    4.459700       3.779600      -1.277000    
 O  -4.8200000E-02  -3.108700      -2.789700    
 O    1.197100      -3.192900     -0.8901000    
 O    2.673400     -3.0500000E-02   2.488900    
 O   -5.149200       3.050000     -0.3182000    
 O    2.102100      -2.195300       2.124400    
 O   -3.879600       1.712900      -1.640400    
 N   -3.317300      6.7699999E-02  0.5993000    
 N   -2.151600       2.268700       2.986600    
 N  -0.7164000      -4.590500      0.4316000    
 N    4.634700      -2.662100       1.176200    
 C   -2.039900       2.007600       1.549300    
 C   -2.273000      -3.269700     -0.9788000    
 C   -2.118800      -2.000900     -0.1327000    
 C   -1.040600      -4.183200     -0.9349000    
 C  -0.6607000       2.478500       1.070200    
 C   -2.205900      0.4924000       1.363100    
 C   -3.371300      -1.131500     -0.1595000    
 C    3.793000     -0.9769000     -0.4204000    
 C    3.245900      0.3957000     -0.6226000    
 C    4.102700      -1.306600       1.056400    
 C   -4.517200      0.9039000      0.5352000    
 C    1.357500       1.895700     -0.7666000    
 C    1.868600      0.6118000     -0.5771000    
 C    4.112100       1.463500     -0.8574000    
 C    2.223600       2.963600      -1.001300    
 C    3.600900       2.747500      -1.046800    
 C   0.1644000      -3.451300      -1.491700    
 C    2.855400      -1.251400       1.921700    
 C   -4.472600       1.909200     -0.5867000    
 H   -2.791900       2.605400       1.041500    
 H   -3.146400      -3.835200     -0.6269000    
 H   -2.494700      -2.988000      -2.016200    
 H   -1.275500      -1.401300     -0.4898000    
 H   -1.945300      -2.300700      0.9048000    
 H   -1.209800      -5.080500      -1.540500    
 H  -0.5398000       3.556200       1.227500    
 H   0.1276000       1.973200       1.641600    
 H    4.708500      -1.090100      -1.017600    
 H    3.093600      -1.707300     -0.8380000    
 H    4.843900     -0.6071000       1.461500    
 H   -5.410600      0.2864000      0.3932000    
 H   -4.633200       1.428500       1.489600    
 H    1.197300     -0.2251000     -0.3962000    
 H    5.185700       1.294000     -0.8905000    
 H   -2.014500       3.262800       3.166000    
 H   -3.096800       2.051900       3.300800    
 H   -1.513500      -5.077100      0.8401000    
 H   4.9600001E-02  -5.263000      0.4158000    
 H    4.924500      -2.833400       2.138500    
 H    5.475900      -2.750800      0.6073000    
 H   0.7752000       4.200300      -1.129500    
 H    5.371500       3.441300      -1.273700    
 H   0.7195000      -2.632100      -3.171400    
 H    1.871200     -5.2000000E-03   3.052900    
 H   -5.103200       3.687700      -1.062100    


%chk=000124212-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124212

0 1
S -0.147944 2.457414 -1.113493
O -0.796046 0.190596 1.653552
O -4.261516 -1.817656 0.600354
O 2.235534 4.381582 -1.140207
O 4.878904 3.774492 -0.815208
O -0.722049 -3.258361 -3.402710
O 0.805716 -2.394124 -1.887669
O 1.812626 -0.236898 2.102725
O -6.206779 1.687265 -0.039654
O 1.437303 -2.437338 1.481361
O -4.271163 1.325160 -1.280068
N -3.038092 0.108641 1.025231
N -2.334032 2.858474 2.485467
N -0.089592 -4.508336 0.003506
N 4.340714 -2.796344 1.426885
C -1.870816 2.339879 1.175382
C -2.183450 -3.276412 -0.604135
C -1.849964 -2.012832 0.217592
C -0.917713 -4.039745 -1.102233
C -0.494196 2.881811 0.735682
C -1.846175 0.795466 1.292825
C -3.118723 -1.296360 0.642070
C 3.798946 -1.111089 -0.309523
C 3.382514 0.316684 -0.615153
C 3.701443 -1.488226 1.215900
C -4.334862 0.805428 1.149369
C 1.636165 1.990213 -0.972024
C 2.023079 0.642532 -0.830176
C 4.336931 1.365319 -0.605366
C 2.589912 3.042012 -0.979098
C 3.961168 2.711963 -0.799912
C -0.166655 -3.149278 -2.118854
C 2.218166 -1.460075 1.624297
C -4.882707 1.273749 -0.194015
H -2.620099 2.621833 0.414146
H -2.757683 -3.982241 0.018951
H -2.812791 -3.009458 -1.473076
H -1.208119 -1.315099 -0.352573
H -1.260978 -2.273696 1.117347
H -1.286401 -4.913175 -1.669943
H -0.476211 3.979246 0.843610
H 0.325623 2.430860 1.317384
H 4.856568 -1.285922 -0.576118
H 3.177426 -1.826970 -0.880187
H 4.237760 -0.722037 1.801618
H -5.063823 0.103876 1.587279
H -4.219067 1.662314 1.839520
H 1.271593 -0.151144 -0.868596
H 5.397169 1.125074 -0.441549
H -2.580529 3.853411 2.482272
H -1.720116 2.613008 3.270072
H 0.393038 -3.780729 0.547692
H 0.525367 -5.290092 -0.234982
H 3.831755 -3.553517 0.953334
H 4.486500 -3.022236 2.417624
H 1.257353 4.404856 -1.355781
H 5.798287 3.430963 -0.686817
H -0.249205 -2.641478 -4.026798
H 0.806132 -0.127426 2.076566
H -6.567192 1.994974 -0.915000


