%chk=000104414.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000104414

0 1
 S    4.097300       1.080700     -0.7055000    
 S   -1.631800      -1.602000     -0.7318000    
 O    5.084100      2.3499999E-02 -0.8278000    
 O    4.063600       2.143300      -1.693500    
 O    2.079800      -3.549900      0.5056000    
 O  -8.5900001E-02  -3.515200      0.1488000    
 O   -5.944800       1.653800      -1.331100    
 N    4.184600       1.767200      0.8741000    
 N    1.036400      -2.958800      0.1434000    
 N   -4.100300      0.1718000      -1.322000    
 C    2.501500      0.3126000     -0.7055000    
 C    2.386400      -1.000700     -0.2889000    
 C    1.404300       1.043200      -1.122600    
 C    1.129500      -1.605200     -0.2896000    
 C   9.7000003E-03 -0.8855000     -0.7067000    
 C   0.1472000      0.4387000      -1.123000    
 C    3.157900       2.771700       1.251200    
 C    4.519500      0.8639000       2.004300    
 C   -2.496200     -0.5110000      0.3860000    
 C   -3.605200      0.2389000     -1.5500000E-02
 C   -2.036300     -0.4142000       1.701800    
 C   -4.249200       1.079600      0.8924000    
 C   -2.680500      0.4263000       2.609800    
 C   -3.786700       1.173400       2.205000    
 C   -5.185100      0.8538000      -1.859000    
 H    3.271600      -1.537700      3.9200000E-02
 H    1.490100       2.075300      -1.447200    
 H  -0.7068000       1.021300      -1.460200    
 H    3.537500       3.390500       2.070500    
 H    2.234300       2.284600       1.575800    
 H    2.945900       3.441600      0.4134000    
 H    5.382900      0.2410000       1.756000    
 H    3.667100      0.2278000       2.257700    
 H    4.791500       1.456400       2.883600    
 H   -1.181200     -0.9902000       2.047700    
 H   -5.109900       1.690600      0.6628000    
 H   -2.321800      0.4981000       3.632400    
 H   -4.287300       1.827200       2.913400    
 H   -3.600100     -0.4533000      -1.950000    
 H   -5.306600      0.5744000      -2.919600    


%chk=000104414-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000104414

0 1
S 3.742392 1.528091 -0.904705
S -1.732507 -1.803410 0.561968
O 4.623325 0.575972 -1.880568
O 3.238306 3.022522 -1.297023
O 2.255079 -3.566803 -0.536925
O 0.027584 -3.706720 -0.066987
O -5.146924 1.099702 -2.507902
N 4.779211 1.742395 0.660339
N 1.112133 -3.029707 -0.278036
N -3.614174 -0.277434 -1.341332
C 2.167079 0.549258 -0.471930
C 2.206505 -0.843581 -0.523383
C 0.997399 1.261606 -0.144919
C 1.022658 -1.554879 -0.212308
C -0.188312 -0.883349 0.139239
C -0.168286 0.537576 0.159910
C 4.082728 2.589635 1.653505
C 5.282653 0.439608 1.150409
C -2.869736 -0.395730 0.991264
C -3.717617 0.181915 -0.004666
C -2.964482 0.009421 2.339558
C -4.636781 1.197772 0.383093
C -3.881317 1.014648 2.718124
C -4.706678 1.602689 1.731540
C -4.300225 0.168882 -2.469645
H 3.103767 -1.395281 -0.821359
H 0.996231 2.356524 -0.161239
H -1.082032 1.079131 0.419716
H 4.848490 2.964661 2.356247
H 3.299044 2.055331 2.236957
H 3.644150 3.459411 1.136851
H 5.669947 -0.140083 0.296281
H 4.525737 -0.158641 1.705971
H 6.129683 0.650696 1.827660
H -2.318523 -0.465960 3.084804
H -5.277054 1.645377 -0.379490
H -3.951563 1.327519 3.764390
H -5.421753 2.383341 2.012958
H -2.965792 -1.063242 -1.481106
H -4.003346 -0.411364 -3.371859


