%chk=000057057.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057057

0 1
 S   -5.427300      -2.217900     -0.1704000    
 O   -2.177300      0.3144000      -2.252900    
 O    7.322700     -0.4454000     -0.7643000    
 N   -4.749100      0.2677000      4.0800001E-02
 N   -6.937000     -0.2437000      0.7768000    
 C   -1.118500     -7.1800001E-02 -4.4700000E-02
 C  -0.1581000       1.081900     -0.4323000    
 C    1.203300       1.011400      0.2728000    
 C    1.899500     -0.3314000     -0.1032000    
 C   -2.412000      0.3709000     -0.8291000    
 C  -0.4325000      -1.381200     -0.4820000    
 C    3.330300     -0.4836000      0.5433000    
 C   0.9674000      -1.546200      0.1391000    
 C  -0.9970000       2.340900     -0.2485000    
 C   -2.449900       1.901800     -0.5257000    
 C    2.099700       2.193800     -0.1200000    
 C   -1.412000     -0.1382000       1.481300    
 C    4.147600      0.7879000      0.2814000    
 C    3.460400       2.103900      0.5588000    
 C    4.032800      -1.711200     -0.1069000    
 C    3.254700     -0.7019000       2.071500    
 C   -3.677800     -0.4161000     -0.4960000    
 C    5.533000      -1.755100      0.1372000    
 C    5.419800      0.7878000     -0.1509000    
 C    6.175900     -0.4738000     -0.3226000    
 C   -3.853900      -1.768900     -0.6843000    
 C   -5.728900     -0.5826000      0.2532000    
 C   -7.315900       1.106400       1.177800    
 H   5.4699998E-02   1.013300      -1.511400    
 H    1.050000       1.060100       1.356200    
 H    2.055000     -0.2934000      -1.194000    
 H  -0.3345000      -1.411800      -1.574300    
 H   -1.038900      -2.248400     -0.2001000    
 H   0.8629000      -1.740700       1.210800    
 H    1.412900      -2.449500     -0.2923000    
 H  -0.6879000       3.134500     -0.9369000    
 H  -0.9125000       2.736400      0.7701000    
 H   -3.057000       2.131500      0.3576000    
 H   -2.866900       2.476700      -1.361000    
 H    1.626900       3.140000      0.1677000    
 H    2.231300       2.222800      -1.209600    
 H   -1.910500      0.7613000       1.854800    
 H   -2.061900     -0.9890000       1.714600    
 H  -0.5088000     -0.2639000       2.083600    
 H    3.337900       2.219500       1.642800    
 H    4.073500       2.951200      0.2278000    
 H    3.867000      -1.694100      -1.193300    
 H    3.594500      -2.647500      0.2588000    
 H    2.649700      6.1299998E-02   2.570600    
 H    2.822100      -1.677000       2.318800    
 H    4.249000     -0.6691000       2.532300    
 H   -2.972800      0.6510000      -2.700400    
 H    5.965200      -2.585000     -0.4330000    
 H    5.770000      -1.908700       1.194500    
 H    5.961600       1.708900     -0.3379000    
 H   -3.172300      -2.497900      -1.097000    
 H   -7.643000     -0.9630000      0.9099000    
 H   -6.649800       1.474900       1.963900    
 H   -8.338500       1.101900       1.566400    
 H   -7.275200       1.787100      0.3219000    


%chk=000057057-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057057

0 1
S -5.673929 -2.104922 -0.804253
O -1.987087 0.040495 -2.511168
O 7.403554 -0.604681 -0.442511
N -4.577397 0.152571 0.167356
N -6.679233 -0.384162 1.185126
C -1.155104 -0.021313 -0.221540
C -0.176992 1.142747 -0.576078
C 1.150363 1.081644 0.206372
C 1.841955 -0.290539 -0.084792
C -2.389452 0.378429 -1.118120
C -0.473507 -1.361356 -0.576015
C 3.240065 -0.457533 0.644849
C 0.887458 -1.496558 0.160501
C -1.058781 2.413367 -0.479605
C -2.476122 1.933941 -0.943996
C 2.089085 2.243475 -0.188864
C -1.591832 -0.014822 1.268306
C 4.106749 0.780755 0.348552
C 3.456172 2.139262 0.528499
C 3.942205 -1.739015 0.094593
C 3.072658 -0.571469 2.194536
C -3.690420 -0.347407 -0.809329
C 5.449891 -1.815121 0.411418
C 5.425710 0.692530 -0.023190
C 6.188849 -0.569216 -0.072443
C -4.083989 -1.515974 -1.436381
C -5.646711 -0.618144 0.310633
C -6.671924 0.788983 2.068133
H 0.073448 1.002963 -1.649630
H 0.936518 1.166659 1.293356
H 2.072591 -0.280354 -1.175790
H -0.313923 -1.402496 -1.668900
H -1.125185 -2.215968 -0.305527
H 0.707509 -1.618291 1.245902
H 1.373309 -2.429123 -0.181747
H -0.675245 3.235723 -1.108723
H -1.094830 2.786298 0.562335
H -3.259160 2.185976 -0.209783
H -2.766427 2.394894 -1.906542
H 1.619542 3.215516 0.055298
H 2.244848 2.225124 -1.287347
H -2.147323 0.897830 1.542220
H -2.258070 -0.872212 1.471169
H -0.722904 -0.098903 1.942417
H 3.291577 2.312937 1.614021
H 4.142614 2.934434 0.183945
H 3.812832 -1.763403 -1.006626
H 3.440548 -2.637836 0.497702
H 2.513021 0.282954 2.613825
H 2.531444 -1.495700 2.462809
H 4.057427 -0.600438 2.694662
H -2.719824 0.332832 -3.111678
H 5.916513 -2.704898 -0.047225
H 5.614998 -1.899896 1.505342
H 5.997255 1.600422 -0.258138
H -3.557785 -2.083087 -2.199324
H -7.459315 -1.036226 1.216807
H -5.788239 0.777459 2.731998
H -7.586410 0.779050 2.683535
H -6.639987 1.724992 1.481151


