%chk=000074132.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000074132

0 1
 S    7.082400      0.6138000      5.9700001E-02
 O   -3.502400      -3.683600     -5.0900001E-02
 O   -1.350300       1.924000      0.3243000    
 O   -5.194800      -1.741000     -0.2555000    
 O    5.908900     -0.1602000     -0.7818000    
 O    6.948900       2.045100     -0.1247000    
 O    7.216200      1.2800000E-02   1.371600    
 N   0.5184000      0.1172000      0.5563000    
 C   -1.881600     -0.3832000      0.2199000    
 C   -2.888600      -1.338700      6.7599997E-02
 C  -0.5538000     -0.7903000      0.3968000    
 C   -3.611300       1.473300      8.9999996E-03
 C   -4.618200      0.5178000     -0.1433000    
 C   -2.206100       1.057700      0.1961000    
 C   -4.293700     -0.9230000     -0.1196000    
 C   -2.567700      -2.701200      9.2100002E-02
 C  -0.2384000      -2.149200      0.4206000    
 C   -1.243300      -3.102600      0.2687000    
 C   -3.932200       2.835900     -1.5000000E-02
 C   -5.946200      0.9248000     -0.3195000    
 C    1.881400      4.7200002E-02  0.2181000    
 C   -5.256800       3.237200     -0.1910000    
 C   -6.261600       2.283700     -0.3429000    
 C    2.829900      0.7330000      0.9807000    
 C    2.293400     -0.7089000     -0.8821000    
 C    4.589800     -9.2299998E-02 -0.4540000    
 C    4.182000      0.6633000      0.6452000    
 C    3.645500     -0.7786000      -1.217600    
 C    8.450100      6.5899998E-02 -0.9290000    
 H   0.7753000      -2.503200      0.5868000    
 H   0.2631000      0.9678000       1.048900    
 H  -0.9879000      -4.158700      0.2954000    
 H   -3.169000       3.600800      0.1012000    
 H   -6.749000      0.2025000     -0.4402000    
 H   -5.505100       4.294400     -0.2096000    
 H   -7.292100       2.598800     -0.4798000    
 H    2.524400       1.324600       1.840300    
 H    1.579400      -1.232900      -1.511700    
 H    4.864200       1.218600       1.278400    
 H    3.957100      -1.364100      -2.078200    
 H   -4.385700      -3.303000     -0.1677000    
 H    8.497900      -1.024100     -0.8937000    
 H    8.308500      0.4152000      -1.953400    
 H    9.364300      0.4933000     -0.5117000    


%chk=000074132-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000074132

0 1
S 7.280721 -0.459630 0.461349
O -3.450475 -3.659109 0.394760
O -1.425774 2.112417 0.003332
O -5.218573 -1.914747 0.225113
O 5.974779 0.289784 -1.043912
O 7.157578 0.430959 1.825448
O 7.292110 -2.089452 0.565870
N 0.464324 0.357923 0.020337
C -1.891728 -0.261548 0.103436
C -2.899476 -1.285455 0.191933
C -0.501453 -0.638022 0.113237
C -3.745962 1.472775 -0.027140
C -4.736943 0.446316 0.036799
C -2.297390 1.148459 0.020793
C -4.326381 -0.963429 0.155987
C -2.523628 -2.660818 0.316260
C -0.160063 -2.025190 0.297489
C -1.139484 -3.007126 0.394316
C -4.152182 2.827233 -0.131305
C -6.113481 0.785224 -0.005358
C 1.841290 0.262977 -0.238443
C -5.520792 3.155637 -0.174800
C -6.504293 2.133105 -0.111796
C 2.660988 1.347808 0.208065
C 2.443340 -0.807536 -0.972911
C 4.645244 0.271323 -0.758036
C 4.037564 1.348922 -0.034786
C 3.822410 -0.808598 -1.212521
C 8.822361 0.100956 -0.507278
H 0.888607 -2.306682 0.416872
H 0.029844 1.317475 0.085296
H -0.878122 -4.057035 0.553104
H -3.376300 3.597179 -0.175839
H -6.848489 -0.023513 0.047919
H -5.828514 4.203367 -0.257376
H -7.567115 2.394431 -0.145188
H 2.197061 2.169034 0.765803
H 1.823885 -1.601787 -1.398273
H 4.674961 2.162864 0.324061
H 4.295160 -1.618218 -1.777761
H -4.393743 -3.190808 0.342294
H 8.779100 -0.426858 -1.468503
H 8.723245 1.187434 -0.624160
H 9.691092 -0.188141 0.100313


