%chk=000124126.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124126

0 1
 S    2.697400      6.0800001E-02  0.3871000    
 O  -0.1501000     -0.9695000      0.9061000    
 O   -2.392000      -2.970400      -1.066500    
 O  -0.4154000      -3.980100      0.5016000    
 O    6.086900     -0.9272000      0.4690000    
 O    7.554200      0.4192000     -0.6138000    
 N   -2.185700     -2.9400000E-02  0.1297000    
 N   -2.517100       2.088600     -0.4695000    
 N   -6.051700       1.271000      0.2791000    
 N   -5.226800       3.380800     -0.4803000    
 N    6.573900       2.548400      0.8374000    
 C   -1.265200      -2.156100     -0.8136000    
 C  -3.7700001E-02  -2.949400     -0.4110000    
 C   -1.467300      -1.271100      0.4069000    
 C   0.7906000      -1.909500      0.3371000    
 C    1.743500      -1.144800     -0.5710000    
 C   -3.536000      0.1840000      0.2549000    
 C   -1.622200       1.139800     -0.3063000    
 C   -3.716000       1.510400     -0.1240000    
 C    3.681900      0.7541000     -0.9616000    
 C   -4.580400     -0.6390000      0.6531000    
 C    4.647800       1.849800     -0.5012000    
 C   -5.005200       2.043700     -0.1043000    
 C    5.671600       1.425900      0.5617000    
 C   -5.820200     -1.6100001E-02  0.6383000    
 C    6.541100      0.2862000      6.1200000E-02
 H   -1.055300      -1.560100      -1.709100    
 H   0.4849000      -3.418500      -1.249700    
 H   -2.011300      -1.783300       1.209400    
 H    1.337500      -2.374100       1.166700    
 H    1.189900     -0.5973000      -1.340500    
 H    2.435100      -1.838600      -1.059500    
 H   -2.624300      -3.434800     -0.2448000    
 H  -0.9193000      -4.641700     -2.4000001E-03
 H  -0.5626000       1.245200     -0.4940000    
 H    2.998500       1.181600      -1.703500    
 H    4.235400     -5.2299999E-02  -1.453400    
 H   -4.449100      -1.671200      0.9474000    
 H    4.066600       2.703500     -0.1265000    
 H    5.177600       2.211600      -1.393600    
 H    5.193500       1.138100       1.503300    
 H   -6.708700     -0.5681000      0.9313000    
 H   -4.453700       3.965200     -0.7684000    
 H   -6.168000       3.749300     -0.4602000    
 H    6.033500       3.345700       1.171200    
 H    7.207300       2.298500       1.596200    
 H    6.658900      -1.657700      0.1504000    


%chk=000124126-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000124126

0 1
S 2.385530 -0.111958 0.979968
O -0.351050 -1.648789 1.806866
O -2.735469 -3.540793 -0.034129
O -0.541657 -4.534089 0.873180
O 5.286186 0.366698 -2.045323
O 7.236835 1.430841 -1.392911
N -1.928209 -0.211938 0.703741
N -1.732729 2.059457 0.485512
N -4.989740 1.710747 -1.396255
N -3.801064 3.714493 -0.998774
N 6.225862 2.102120 1.059161
C -1.628678 -2.609877 -0.047442
C -0.246106 -3.322657 0.097190
C -1.655603 -1.596108 1.155335
C 0.615034 -2.310366 0.887786
C 1.333978 -1.311644 -0.035942
C -3.059545 0.199198 -0.023901
C -1.178513 0.946901 0.995810
C -2.910281 1.610139 -0.150674
C 2.799314 1.112407 -0.422509
C -4.173641 -0.483870 -0.577468
C 3.961948 2.021297 0.004428
C -3.909019 2.348662 -0.854872
C 5.345207 1.309511 0.201875
C -5.094812 0.347640 -1.248165
C 6.070243 1.070549 -1.119806
H -1.689084 -2.061616 -1.001554
H 0.195336 -3.584573 -0.883594
H -2.417836 -1.899669 1.895016
H 1.344839 -2.814432 1.547038
H 0.610913 -0.719471 -0.624318
H 2.007402 -1.852498 -0.725993
H -2.437420 -4.329885 0.499632
H 0.249794 -5.120104 0.939815
H -0.250122 0.893331 1.560767
H 1.889079 1.706040 -0.613343
H 3.061029 0.522879 -1.315367
H -4.324240 -1.563578 -0.499495
H 3.728855 2.507778 0.969593
H 4.075563 2.841487 -0.729432
H 5.122828 0.295624 0.615152
H -5.988452 -0.093417 -1.704405
H -3.011399 4.202482 -0.583208
H -4.534838 4.216538 -1.492066
H 6.108344 1.979085 2.063509
H 7.187972 2.204678 0.730830
H 5.813713 0.241850 -2.880858


