%chk=000040784.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000040784

0 1
 S    6.719600      0.6746000      0.6001000    
 O   -3.724300       1.444500      -1.180800    
 O   -3.892800       1.334000       1.076600    
 N    2.925700     -0.3159000     -0.4417000    
 N   -3.550500      -1.297300       1.202400    
 C  -0.8502000     -0.4107000      4.2900000E-02
 C   0.5051000     -0.6625000     -0.6228000    
 C   -2.035000      -1.000000     -0.7344000    
 C    1.644000     -7.4199997E-02  0.2103000    
 C   -3.412000     -0.7021000     -0.1276000    
 C    4.020900      0.2306000      0.3470000    
 C   -3.693700      0.7806000      1.1000000E-03
 C    5.343200     -1.7000000E-03 -0.3732000    
 H  -0.8248000     -0.8375000       1.052400    
 H  -0.9873000      0.6712000      0.1585000    
 H   0.5046000     -0.2167000      -1.625400    
 H   0.6545000      -1.742200     -0.7486000    
 H   -1.902200      -2.086200     -0.8211000    
 H   -2.008300     -0.6051000      -1.758200    
 H    1.636900     -0.5364000       1.204800    
 H    1.481300       1.003000      0.3385000    
 H   -4.195100      -1.127800     -0.7653000    
 H    2.923500      0.1055000      -1.370200    
 H    4.043600     -0.2565000       1.329900    
 H    3.868400       1.306100      0.5034000    
 H   -2.871900     -0.8915000       1.844900    
 H   -3.334600      -2.292400       1.155400    
 H    5.345800      0.4870000      -1.353300    
 H    5.522300      -1.071200     -0.5271000    
 H   -3.915300       2.399000      -1.059900    
 H    6.558000     -0.1178000       1.670100    


%chk=000040784-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000040784

0 1
S 6.996911 0.445108 0.513056
O -4.047381 1.317408 -1.124443
O -3.851168 1.239021 1.187450
N 2.964681 -0.185416 -0.432427
N -3.576214 -1.515814 1.125785
C -0.881197 -0.288909 0.016561
C 0.506616 -0.539512 -0.613829
C -2.024611 -0.899508 -0.820437
C 1.655630 0.075485 0.208752
C -3.442708 -0.809567 -0.147656
C 4.140192 0.333807 0.299539
C -3.801214 0.653897 0.082649
C 5.430642 -0.230840 -0.317324
H -0.906442 -0.717711 1.039058
H -1.041981 0.802534 0.131831
H 0.523916 -0.117176 -1.641560
H 0.690098 -1.626822 -0.716709
H -1.821501 -1.975289 -0.998740
H -2.074965 -0.412157 -1.813461
H 1.673310 -0.385132 1.216851
H 1.456522 1.167183 0.360539
H -4.169579 -1.201351 -0.888079
H 2.964831 0.126267 -1.414612
H 4.059116 -0.004666 1.351525
H 4.202603 1.448650 0.326308
H -3.467868 -0.936628 1.960925
H -3.156663 -2.443919 1.170913
H 5.539366 0.076522 -1.372509
H 5.437116 -1.330962 -0.272559
H -4.256198 2.272402 -0.936162
H 6.777538 -0.146504 1.747466


