%chk=000130938.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000130938

0 1
 S   -1.554600      -2.939500       1.574600    
 S   0.1102000      -4.353300     -0.4196000    
 O   -1.608100       2.233500       1.044400    
 O   -1.280700      0.8884000      -1.447100    
 O   -4.368600       2.695800      0.8527000    
 O   -5.875700       1.359600      -1.071900    
 O   -6.184900      -1.115500      0.2278000    
 O    6.231600      0.7331000       1.627600    
 O    6.325100       2.159400     -0.1397000    
 N  -4.1999999E-03  -1.578900     -0.1875000    
 C   -2.474900       1.174600      0.6418000    
 C   -1.692300      0.2026000     -0.2668000    
 C   -3.728300       1.780100     -3.3900000E-02
 C  -0.4476000     -0.3561000      0.4291000    
 C   -4.760900      0.7139000     -0.4605000    
 C   0.9596000      -1.396900      -1.290600    
 C   -5.270800     -0.1397000      0.7010000    
 C    2.213100     -0.7085000     -0.8337000    
 C  -0.4034000      -2.881200      0.2250000    
 C    2.758400      0.3245000      -1.596000    
 C    2.833100      -1.102500      0.3520000    
 C    3.923600      0.9636000      -1.172400    
 C    3.998400     -0.4635000      0.7756000    
 C    4.543600      0.5697000      1.3300000E-02
 C    5.758300       1.236500      0.4548000    
 H   -2.760100      0.6709000       1.570800    
 H   -2.343400     -0.6205000     -0.5758000    
 H   -3.430600       2.377100     -0.9043000    
 H   0.3512000      0.3926000      0.4185000    
 H  -0.6541000     -0.5262000       1.488800    
 H   -4.341100      5.6100000E-02  -1.228700    
 H    1.245100      -2.338700      -1.763500    
 H   0.4541000     -0.8133000      -2.067600    
 H   -5.801600      0.4776000       1.433000    
 H   -4.457000     -0.6701000       1.201300    
 H   -1.431400       2.790700      0.2679000    
 H  -0.6472000       1.580400      -1.193700    
 H   -5.148600       3.051400      0.3935000    
 H   -5.540100       1.874000      -1.825900    
 H    2.285900      0.6409000      -2.522100    
 H    2.432900      -1.911500      0.9566000    
 H   -6.484000      -1.626700      0.9991000    
 H    4.332400       1.766300      -1.780600    
 H    4.449700     -0.8033000       1.703500    
 H   -1.653300      -4.275200       1.640600    
 H    7.050300       1.189800       1.916800    


%chk=000130938-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000130938

0 1
S -1.718740 -2.741029 1.184954
S 0.395536 -4.152969 -0.595978
O -1.767336 2.542806 0.078648
O -1.312543 0.824480 -1.909770
O -4.402115 2.835970 0.176376
O -6.274788 1.183073 -0.719135
O -6.468032 -0.752490 1.059877
O 6.674991 0.188940 1.867881
O 6.672183 2.025535 0.447523
N 0.105959 -1.426933 -0.348237
C -2.576926 1.312030 0.137129
C -1.748972 0.255885 -0.628885
C -3.947901 1.606497 -0.496585
C -0.530026 -0.210852 0.210601
C -5.020480 0.508756 -0.336717
C 1.161165 -1.192553 -1.379732
C -5.168134 -0.050765 1.089017
C 2.442492 -0.630244 -0.780444
C -0.285360 -2.696706 -0.022153
C 2.999132 0.574676 -1.279284
C 3.107426 -1.318195 0.269426
C 4.199746 1.084184 -0.746003
C 4.305648 -0.813705 0.808378
C 4.858264 0.392909 0.302508
C 6.120070 0.967467 0.837456
H -2.711281 1.013692 1.196796
H -2.374164 -0.618334 -0.880694
H -3.818465 1.803176 -1.580465
H 0.222883 0.595499 0.235395
H -0.830377 -0.407518 1.255767
H -4.819731 -0.325449 -1.038215
H 1.353516 -2.170074 -1.857929
H 0.733939 -0.501317 -2.127187
H -5.182901 0.775805 1.827943
H -4.346056 -0.757644 1.319711
H -2.389298 3.297232 0.266265
H -1.109173 1.782079 -1.705279
H -5.364677 2.934317 -0.061847
H -7.013152 0.617541 -0.363270
H 2.490433 1.111135 -2.088818
H 2.682977 -2.253845 0.650561
H -6.694538 -1.106391 1.953395
H 4.640764 2.013517 -1.121061
H 4.824610 -1.342036 1.612861
H -1.721671 -4.120171 1.230455
H 7.514201 0.624022 2.176963


