%chk=000126348.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000126348

0 1
 S   0.3389000       1.216100       1.977000    
 O    2.699400      -1.335600      -2.406700    
 O    3.315600      -1.509100       1.731500    
 O    5.310000       2.800400      -1.315400    
 O    6.272100       2.106100      0.6233000    
 O   -1.563900      -1.938600     -0.7233000    
 O  -0.1892000     -0.1989000      -1.204500    
 O   -1.888300       3.070900       1.172000    
 N    2.007200      -1.683800     -0.1991000    
 N   0.9883000      -2.663600       2.948100    
 N    7.128000     -0.2087000     -0.5038000    
 N   -7.010500      0.2818000      -1.372500    
 N   -7.248900     -0.9385000      -1.239700    
 N   -7.472100      -2.051600      -1.122400    
 C    5.045900     -1.2300000E-02  -1.839300    
 C    4.148900     -0.4919000     -0.6927000    
 C   0.9407000      -1.495600       2.064700    
 C    6.333100      0.6718000      -1.358800    
 C    2.898000      -1.204600      -1.195800    
 C    2.204700      -1.550300       1.194400    
 C   0.9146000     -0.2276000       2.927800    
 C   0.7972000      -2.336500     -0.7022000    
 C    5.990000       1.906700     -0.5495000    
 C   -1.427600      0.8379000       1.981900    
 C  -0.3465000      -1.376300     -0.9050000    
 C   -2.228100       1.891900       1.239400    
 C   -3.485500       1.468600      0.5529000    
 C   -4.231900      0.4041000       1.058600    
 C   -3.913300       2.137800     -0.5938000    
 C   -5.405900      8.8000000E-03  0.4174000    
 C   -5.087300       1.742500      -1.235000    
 C   -5.833600      0.6780000     -0.7294000    
 H    4.476400      0.6698000      -2.483400    
 H    5.314600     -0.8695000      -2.471200    
 H    3.836600      0.3524000     -6.9300003E-02
 H    4.717200      -1.205900     -8.9900002E-02
 H   1.6200000E-02  -1.579100       1.505500    
 H    6.943800      0.9787000      -2.215200    
 H   0.2556000     -0.3415000       3.796200    
 H    1.911300      9.1000004E-03   3.316400    
 H   0.9940000      -2.825400      -1.662400    
 H   0.4972000      -3.118400      3.4000000E-03
 H   0.9284000      -3.516000       2.392100    
 H   0.1714000      -2.666800       3.558000    
 H    7.365300      -1.057300      -1.016200    
 H    8.013100      0.2428000     -0.2761000    
 H   -1.584200     -0.1315000       1.507600    
 H   -1.792400      0.8049000       3.013200    
 H    5.077100       3.609700     -0.8124000    
 H   -3.934100     -0.1211000       1.961800    
 H   -3.342200       2.965900      -1.004900    
 H   -2.290100      -1.293000     -0.8583000    
 H   -5.969400     -0.8051000      0.8652000    
 H   -5.412200       2.268600      -2.128700    


%chk=000126348-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000126348

0 1
S 0.432189 1.242257 2.954152
O 2.467610 -1.901953 -2.217049
O 2.939471 -0.852935 1.793994
O 4.690287 2.849687 -1.313608
O 6.446323 2.235938 0.074043
O -1.872986 -2.161136 -0.733298
O -0.587238 -0.249213 -1.061677
O -1.565672 3.267741 1.591870
N 1.700891 -1.659394 -0.036776
N 0.676172 -2.970815 2.632697
N 6.775166 -0.166460 -1.216323
N -5.624660 0.047811 -2.220065
N -6.334588 -0.995993 -2.096623
N -7.075705 -1.916935 -2.185327
C 4.447142 0.101017 -2.103501
C 3.800542 -0.417153 -0.807760
C 0.642477 -1.537570 2.260867
C 5.825756 0.768702 -1.823731
C 2.655909 -1.366768 -1.090633
C 1.858016 -1.294855 1.318577
C 0.712206 -0.564891 3.458524
C 0.496565 -2.401053 -0.459546
C 5.711791 1.988741 -0.908573
C -1.482746 1.283326 2.961269
C -0.659335 -1.462773 -0.784960
C -1.967883 2.077196 1.748294
C -2.913333 1.461183 0.758336
C -3.630062 0.257613 0.989523
C -3.122986 2.151582 -0.470295
C -4.531480 -0.248810 0.029535
C -4.010738 1.661819 -1.436385
C -4.726452 0.460133 -1.188766
H 3.784596 0.824163 -2.610484
H 4.609994 -0.741104 -2.799675
H 3.450127 0.410269 -0.165680
H 4.574044 -0.942375 -0.210319
H -0.300573 -1.353067 1.715362
H 6.178960 1.181246 -2.800964
H -0.030570 -0.837645 4.228534
H 1.721851 -0.576167 3.902174
H 0.757677 -2.946359 -1.385608
H 0.209134 -3.130606 0.315432
H 1.554377 -3.268640 3.070089
H -0.149264 -3.305276 3.138556
H 7.225858 -0.819353 -1.856994
H 7.385134 0.240682 -0.502816
H -1.838598 0.242777 2.981939
H -1.792642 1.800657 3.885107
H 4.654601 3.632967 -0.700554
H -3.514526 -0.292563 1.929229
H -2.563333 3.076376 -0.639332
H -2.624733 -1.535050 -0.935913
H -5.103348 -1.160189 0.240771
H -4.167818 2.184418 -2.384137


