%chk=000117829.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000117829

0 1
 S    3.105400      -1.233700      0.4759000    
 O    1.987900      -3.107300     -0.7527000    
 O    4.449700      -1.688000      0.1700000    
 O    2.502000      -1.570700       1.751800    
 N    2.035300      -1.669900     -0.8153000    
 C   -1.386300     -0.9173000      0.3545000    
 C   -2.442000      -1.069600       1.429800    
 C   -1.879900     -0.1386000     -0.7163000    
 C   -3.596100     -0.2844000      0.8428000    
 C   -3.240800      0.2511000     -0.4156000    
 C  -0.1017000      -1.431600      0.3425000    
 C   0.7023000      -1.158400     -0.7656000    
 C   -1.082200      0.1322000      -1.815400    
 C   -4.848700     -7.1800001E-02   1.391500    
 C   -4.146400       1.009700      -1.138500    
 C   0.2172000     -0.3841000      -1.833600    
 C   -5.761300      0.6928000      0.6626000    
 C   -5.413700       1.228200     -0.5897000    
 C    3.130200      0.5313000      0.3413000    
 C    2.704600       1.294300       1.413300    
 C    3.574900       1.110800     -0.8330000    
 C    2.724500       2.685000       1.307300    
 C    3.595100       2.501500     -0.9389000    
 C    3.170000       3.288700      0.1313000    
 H   -2.105500     -0.6208000       2.368900    
 H   -2.714400      -2.121100       1.559100    
 H   0.2223000      -2.057600       1.164900    
 H   -1.442300      0.7284000      -2.647000    
 H   -5.118200     -0.4841000       2.357400    
 H   0.8551000     -0.1787000      -2.690400    
 H   -3.892600       1.429600      -2.106000    
 H   -6.753000      0.8775000       1.066800    
 H   -6.141700       1.820400      -1.138200    
 H    2.354900      0.8494000       2.339200    
 H    3.908900      0.5082000      -1.672300    
 H    1.822700      -3.368800      -1.674900    
 H    2.393500       3.298200       2.140500    
 H    3.941600       2.971500      -1.854600    
 H    3.185400       4.371400      4.8799999E-02


%chk=000117829-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000117829

0 1
S 3.749143 1.812201 0.411477
O 1.027256 -0.685934 -0.016706
O 3.712226 0.006935 -0.043452
O 3.778009 2.019396 2.042832
N 0.270940 0.330883 -0.317748
C -3.091256 -1.274113 0.216448
C -3.963701 -2.463365 0.597603
C -3.924499 -0.148652 -0.124588
C -5.375165 -1.914457 0.438857
C -5.328274 -0.548675 0.013225
C -1.703258 -1.172542 0.169771
C -1.134225 0.079464 -0.225351
C -3.354028 1.089345 -0.513195
C -6.611070 -2.550162 0.647755
C -6.519733 0.183870 -0.204703
C -1.954343 1.198001 -0.561196
C -7.803068 -1.815381 0.428872
C -7.757143 -0.460683 0.006325
C 5.575160 1.950243 -0.071778
C 6.459312 2.406974 0.918955
C 5.989725 1.630533 -1.377718
C 7.824624 2.556607 0.582952
C 7.357987 1.786112 -1.701591
C 8.270888 2.251280 -0.724660
H -3.763922 -2.802502 1.632638
H -3.780127 -3.335422 -0.059620
H -1.032837 -2.000745 0.421991
H -3.986310 1.945150 -0.769559
H -6.659488 -3.594798 0.974262
H -1.454707 2.128259 -0.850751
H -6.488598 1.229416 -0.530281
H -8.774151 -2.297160 0.587454
H -8.692205 0.085878 -0.156033
H 6.071712 2.611785 1.924504
H 5.276945 1.242659 -2.112197
H 2.729852 -0.269688 -0.041756
H 8.535908 2.906703 1.339019
H 7.709310 1.536813 -2.708854
H 9.329805 2.369471 -0.981003


