%chk=000126950.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126950

0 1
 S   0.6916000     -0.9051000      0.5158000    
 O   0.2747000       3.797500       1.538500    
 O    3.076400       1.314300      -1.413500    
 O   -1.906700      0.8383000      -1.684600    
 O   -4.053100       1.557700      -1.814400    
 O   -1.088300      -3.951100      -1.513000    
 O   -3.109200      -1.807100       2.024400    
 O    4.088600      -1.881200     -0.1805000    
 O    6.184900      -1.921300      -1.047700    
 N   0.9492000       2.266600     -7.2999999E-02
 N   -1.731800      -2.959700      0.5152000    
 N    4.166900      0.6345000      0.5181000    
 N   -3.924900       2.239600      0.8533000    
 C    1.955800       1.599700      0.7201000    
 C    1.380300      0.4393000       1.535900    
 C   -2.250400       3.705500     -0.1673000    
 C  -0.7974000       3.821800     -0.6325000    
 C   -2.682900       2.255300      7.6700002E-02
 C   0.1869000       3.320000      0.4105000    
 C   8.3999999E-02  -1.955400       1.854100    
 C    3.109300       1.185800     -0.1913000    
 C  -0.5800000      -3.223300       1.334700    
 C   -2.977100       1.540300      -1.229500    
 C   -1.866000      -3.341100     -0.7991000    
 C   -2.858100      -2.289800      0.9331000    
 C    5.364200      0.1445000     -0.1239000    
 C   -3.187100      -2.867600      -1.241300    
 C   -3.773600      -2.246100     -0.2175000    
 C    5.273600      -1.311700     -0.5013000    
 H    2.362300       2.337800       1.424300    
 H   0.5747000      0.8167000       2.176100    
 H    2.144200      8.1000002E-03   2.190200    
 H   -2.900200       4.179100     -0.9143000    
 H   -2.358000       4.284400      0.7597000    
 H  -0.6638000       3.309200      -1.590800    
 H  -0.5578000       4.877000     -0.8115000    
 H   0.7827000       1.917900      -1.012500    
 H   -1.936100       1.688300      0.6417000    
 H  -0.6110000      -1.375900       2.469300    
 H   0.9316000      -2.236400       2.488200    
 H  -0.9246000      -3.809800       2.194700    
 H   0.1374000      -3.840400      0.7813000    
 H    4.122000      0.5820000       1.531000    
 H   -4.178000       1.276600       1.073100    
 H   -3.774200       2.702500       1.748900    
 H    6.186500      0.2702000      0.5860000    
 H    5.554500      0.7283000      -1.029200    
 H   -3.586500      -3.011000      -2.231100    
 H   -4.745200      -1.781900     -0.2068000    
 H   -2.107400      0.3666000      -2.520900    
 H    4.053900      -2.827400     -0.4368000    


%chk=000126950-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126950

0 1
S 0.347766 -0.894116 0.665544
O 0.511191 3.484458 2.030772
O 2.343339 0.845462 -1.692390
O -1.373990 1.919216 -1.919195
O -3.378473 0.790062 -1.687152
O -0.950779 -4.480591 -0.789927
O -3.713265 -1.216363 1.148732
O 6.050945 -0.956354 0.866042
O 6.816226 -1.806410 -1.161730
N 0.937518 2.327645 0.063075
N -2.109429 -2.845560 0.500388
N 3.935235 0.221262 -0.127495
N -3.812917 1.819508 0.853696
C 1.952545 1.469276 0.663620
C 1.353481 0.399363 1.621589
C -2.219751 3.629642 0.356036
C -0.776908 4.088031 0.014404
C -2.512976 2.104676 0.235124
C 0.273772 3.292648 0.791554
C -0.650038 -1.587650 2.123911
C 2.757626 0.827262 -0.491159
C -1.306467 -2.924121 1.728973
C -2.522745 1.553057 -1.190831
C -1.856383 -3.620684 -0.673933
C -3.222285 -1.997627 0.289772
C 4.734549 -0.502321 -1.117411
C -2.886152 -3.190823 -1.683835
C -3.678436 -2.234420 -1.126022
C 5.966216 -1.159524 -0.522589
H 2.617578 2.098830 1.289802
H 0.690250 0.915844 2.335011
H 2.155011 -0.121383 2.176172
H -2.950158 4.185746 -0.258552
H -2.418888 3.894469 1.412669
H -0.598187 4.013732 -1.070062
H -0.673737 5.146381 0.314203
H 0.677104 2.125498 -0.910419
H -1.655458 1.562448 0.712396
H -1.407881 -0.843306 2.416025
H 0.040312 -1.767112 2.966495
H -1.947058 -3.261107 2.566112
H -0.538930 -3.696219 1.541730
H 4.261290 0.211151 0.841527
H -4.131619 0.848094 0.748176
H -3.871540 2.147191 1.822172
H 5.064559 0.172704 -1.930581
H 4.128744 -1.286125 -1.612985
H -2.919848 -3.614714 -2.687086
H -4.504186 -1.673951 -1.561171
H -1.384667 1.448930 -2.796824
H 6.864693 -1.400006 1.226226


