%chk=000113093.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113093

1 1
 S   -6.257200     -0.7331000      0.2344000    
 O   -6.828500      -1.271900       1.664100    
 O   -6.226200      -1.841100     -0.7031000    
 O   -6.920000      0.5171000     -9.0499997E-02
 N  -5.9900001E-02  0.9870000     -0.6341000    
 C    1.914000       1.952500      0.1988000    
 C    2.112400      0.4740000     -4.8500001E-02
 C   0.4560000       2.105600     -0.2345000    
 C   0.9050000     -3.5700001E-02 -0.5406000    
 C   -1.412400      0.6902000      -1.129700    
 C    2.042600       2.328000       1.677700    
 C    2.799800       2.825900     -0.6942000    
 C    3.225100     -0.3680000      0.1299000    
 C  -0.3258000       3.372200     -0.2207000    
 C   -2.288600      0.2768000      4.4000000E-02
 C   0.7428000      -1.368100     -0.8719000    
 C    3.069100      -1.739900     -0.2079000    
 C    1.835600      -2.216000     -0.7011000    
 C   -3.720000     -6.5000001E-03 -0.4123000    
 C    4.477900      5.9500001E-02  0.6190000    
 C    4.150700      -2.621000     -4.8000000E-02
 C   -4.610100     -0.3832000      0.7621000    
 C    5.540500     -0.8331000      0.7702000    
 C    5.377300      -2.171400      0.4370000    
 H   -1.807100       1.599500      -1.596900    
 H   -1.369200     -6.7199998E-02  -1.918700    
 H    1.360400       1.737200       2.301100    
 H    3.055100       2.167600       2.058800    
 H    1.798200       3.383000       1.844100    
 H    2.667700       2.577700      -1.754300    
 H    2.554000       3.887600     -0.5795000    
 H    3.862300       2.712200     -0.4610000    
 H   0.2530000       4.174700      0.2427000    
 H   -1.251700       3.247900      0.3474000    
 H  -0.5647000       3.672100      -1.245300    
 H   -1.882600     -0.6189000      0.5312000    
 H   -2.302300       1.065800      0.8068000    
 H  -0.1880000      -1.778200      -1.246100    
 H    1.718500      -3.268000     -0.9572000    
 H   -3.713000     -0.8152000      -1.153200    
 H   -4.129600      0.8777000     -0.9161000    
 H    4.650800       1.096000      0.8914000    
 H    4.047200      -3.674300     -0.3022000    
 H   -4.225900      -1.283600       1.252600    
 H   -4.660900      0.4270000       1.496200    
 H    6.495300     -0.4795000       1.148600    
 H    6.203200      -2.866700      0.5542000    
 H   -6.493800      -2.154500       1.949400    


%chk=000113093-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113093

1 1
S -6.386150 -0.883824 0.115195
O -7.034324 -1.464827 1.747744
O -6.328114 -2.096318 -0.953564
O -7.049536 0.530168 -0.305508
N -0.028776 0.996479 -0.571347
C 1.965433 1.989655 0.168535
C 2.163689 0.487009 -0.049013
C 0.498393 2.172954 -0.212124
C 0.949730 -0.066192 -0.482163
C -1.434614 0.746853 -0.989007
C 2.163456 2.407347 1.664169
C 2.848445 2.868713 -0.778420
C 3.309285 -0.352113 0.113819
C -0.242177 3.469068 -0.223567
C -2.306096 0.226948 0.181452
C 0.759431 -1.439660 -0.788810
C 3.140343 -1.768026 -0.192018
C 1.869030 -2.271607 -0.636136
C -3.745109 -0.055016 -0.315930
C 4.597279 0.108576 0.550049
C 4.258613 -2.650436 -0.047544
C -4.627310 -0.573683 0.823324
C 5.665613 -0.781306 0.679460
C 5.498084 -2.169710 0.379787
H -1.850078 1.682870 -1.397227
H -1.410449 0.011519 -1.811607
H 1.511577 1.826030 2.338715
H 3.207466 2.221604 1.963517
H 1.956527 3.482472 1.803553
H 2.702645 2.595251 -1.837462
H 2.616091 3.939979 -0.648925
H 3.912985 2.719963 -0.535817
H 0.273967 4.214755 0.400199
H -1.279341 3.374543 0.140848
H -0.290720 3.884190 -1.250653
H -1.860599 -0.694014 0.602140
H -2.325119 0.979451 0.993470
H -0.198179 -1.840218 -1.132007
H 1.780450 -3.339812 -0.860617
H -3.722141 -0.804678 -1.130883
H -4.189351 0.870497 -0.731703
H 4.753348 1.165009 0.785507
H 4.128934 -3.713282 -0.278830
H -4.333055 -1.557755 1.219201
H -4.802753 0.149791 1.634236
H 6.642600 -0.417236 1.012805
H 6.346861 -2.852127 0.486682
H -7.999282 -1.710151 1.650578


