%chk=000131023.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000131023

0 1
 S   0.4329000       3.352300      4.0100001E-02
 O   0.7202000       4.199500       1.187800    
 O   0.2122000       3.951400      -1.267500    
 O    2.386600      -2.692800       1.568600    
 N   -2.389900      0.6841000      0.1898000    
 N  -0.8323000       2.295400      0.4069000    
 N   -1.759400       1.974400      -1.761600    
 N    3.644200      -2.571100     -0.3833000    
 C   -3.470900     -0.1364000     -0.3124000    
 C   -4.802500      0.5836000     -8.8500001E-02
 C   -3.450000      -1.499500      0.3833000    
 C   -5.985800     -0.2827000     -0.5133000    
 C   -4.634200      -2.363600     -4.3600000E-02
 C   -5.962300      -1.644400      0.1756000    
 C   -2.092800      0.7145000       1.622100    
 C  -0.8452000       1.613200       1.729700    
 C   -1.704400       1.645100     -0.5170000    
 C    1.779000       2.214900     -0.1212000    
 C    2.792600       2.193000      0.8368000    
 C    1.826800       1.340900      -1.207300    
 C    3.901900      0.4232000     -0.3775000    
 C    3.854000       1.297100      0.7086000    
 C    2.888200      0.4452000      -1.335500    
 C    5.036000     -0.5356000     -0.5141000    
 C    4.782700      -1.886000      0.1674000    
 C    2.532400      -2.919400      0.3717000    
 C    1.501800      -3.621600     -0.4415000    
 C   0.3586000      -4.032700      0.1235000    
 C  -0.7202000      -4.742100     -0.6277000    
 H   -3.337400     -0.3118000      -1.387200    
 H   -4.923900      0.8526000      0.9684000    
 H   -4.820900       1.525400     -0.6506000    
 H   -2.510100      -2.020800      0.1701000    
 H   -3.520300      -1.397300       1.472400    
 H   -6.923800      0.2332000     -0.2787000    
 H   -5.962200     -0.4236000      -1.600900    
 H   -4.626900      -3.304300      0.5186000    
 H   -4.530600      -2.625100      -1.103900    
 H   -6.132000      -1.511600       1.251200    
 H   -6.783500      -2.263300     -0.2032000    
 H   -1.853300     -0.2655000       2.044200    
 H   -2.924700       1.155900       2.180900    
 H  -0.9360000       2.324100       2.554700    
 H   5.2099999E-02  0.9998000       1.853700    
 H   -2.445600       1.392200      -2.249600    
 H    2.779000       2.859300       1.694100    
 H    1.049800       1.346200      -1.965800    
 H    4.636000       1.287400       1.463200    
 H    2.913500     -0.2282000      -2.188200    
 H    5.248500     -0.6975000      -1.579400    
 H    5.949500     -9.0800002E-02 -9.8899998E-02
 H    4.654800      -1.749500       1.246900    
 H    5.650000      -2.537400      1.5699999E-02
 H    3.686000      -2.829700      -1.365000    
 H    1.696300      -3.790300      -1.495400    
 H   0.1682000      -3.859600       1.179100    
 H  -0.4695000      -4.878400      -1.684500    
 H  -0.8914000      -5.729600     -0.1882000    
 H   -1.653600      -4.175300     -0.5703000    


%chk=000131023-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000131023

0 1
S 0.528157 3.365926 0.427138
O 0.885944 3.947725 1.908771
O 0.232094 4.364318 -0.804015
O 2.783336 -2.806662 1.309278
N -2.356904 0.577995 0.703699
N -0.986758 2.371273 0.784571
N -1.027575 1.209826 -1.306406
N 3.624761 -2.623925 -0.859960
C -3.318378 -0.346778 0.069813
C -4.545855 0.384025 -0.544609
C -3.763879 -1.455109 1.052225
C -5.502548 -0.620037 -1.231480
C -4.717025 -2.458143 0.358112
C -5.941563 -1.738490 -0.256808
C -2.648107 1.273285 1.981876
C -1.378655 2.140509 2.192850
C -1.445223 1.336092 -0.071008
C 1.897156 2.155637 -0.051315
C 2.747871 1.712544 0.974629
C 2.031255 1.785548 -1.396617
C 3.965926 0.407386 -0.722138
C 3.785794 0.824506 0.623086
C 3.087984 0.904966 -1.719506
C 5.073866 -0.571730 -1.082012
C 4.878514 -1.980956 -0.453170
C 2.634375 -2.976228 0.056518
C 1.404975 -3.564318 -0.558137
C 0.354677 -3.955820 0.212211
C -0.932053 -4.550896 -0.295500
H -2.769655 -0.846585 -0.758256
H -5.091893 0.917005 0.260497
H -4.200363 1.149563 -1.265035
H -2.870167 -1.968776 1.455832
H -4.296203 -0.998708 1.911790
H -6.386818 -0.085695 -1.627829
H -4.990790 -1.077187 -2.104097
H -5.046710 -3.224968 1.085040
H -4.168988 -2.994188 -0.445244
H -6.550546 -1.295013 0.557990
H -6.589200 -2.468344 -0.779346
H -2.791861 0.559846 2.810277
H -3.548226 1.917897 1.899079
H -1.586132 3.086692 2.712488
H -0.601348 1.583859 2.752495
H -1.468865 0.430037 -1.822265
H 2.610958 2.067027 2.001153
H 1.324970 2.156284 -2.142974
H 4.456861 0.453186 1.405735
H 3.225399 0.599246 -2.763295
H 5.149231 -0.666992 -2.182733
H 6.053986 -0.191584 -0.730993
H 4.839612 -1.917154 0.647988
H 5.743251 -2.618900 -0.724690
H 3.449157 -2.771565 -1.855412
H 1.365027 -3.666706 -1.652453
H 0.465315 -3.821828 1.298833
H -0.947455 -4.634849 -1.396104
H -1.092992 -5.559925 0.132246
H -1.799516 -3.937749 0.020490


