%chk=000135852.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135852

0 1
 S    1.062500      -1.214400      0.7619000    
 P    2.834100     -0.7786000     -0.2811000    
 O    3.037100      0.8281000     -0.4229000    
 O    4.109800      -1.224700      0.6232000    
 O    2.825600      -1.457500      -1.626500    
 N   -2.689100     -0.3283000     -0.4765000    
 C   -3.997800     -0.6209000      0.1093000    
 C   -2.534200       1.112100     -0.6827000    
 C   -1.620200     -0.8421000      0.3748000    
 C   -4.187800      -2.131900      0.1986000    
 C   -4.119000      2.8999999E-02   1.484700    
 C   -3.626800       1.610800      -1.623100    
 C   -2.584600       1.846300      0.6543000    
 C  -0.2686000     -0.5839000     -0.2793000    
 C    3.072500       1.644000      0.7354000    
 C    5.415700     -0.9735000      0.1326000    
 C    3.270700       3.085400      0.3173000    
 H   -4.816300     -0.2807000     -0.5329000    
 H   -1.600900       1.337800      -1.206000    
 H   -1.586000     -0.4876000       1.405300    
 H   -1.703300      -1.933500      0.4425000    
 H   -3.923800      -2.628300     -0.7423000    
 H   -5.243000      -2.361400      0.3916000    
 H   -3.620200      -2.593600       1.013300    
 H   -4.855300     -0.5801000       2.037300    
 H   -3.284300     -6.0000003E-04   2.182700    
 H   -4.654400      0.9794000       1.472800    
 H   -3.372200       2.618400      -1.974300    
 H   -3.713300      0.9780000      -2.513800    
 H   -4.612100       1.696800      -1.153700    
 H   -2.055900       1.436200       1.514000    
 H   -3.536300       2.321400      0.9005000    
 H   -1.975300       2.750800      0.4776000    
 H  -3.7700001E-02  0.4768000     -0.3898000    
 H  -0.2064000      -1.058900      -1.264100    
 H    2.129800       1.548000       1.281100    
 H    3.890000       1.326300       1.388900    
 H    3.299600       3.744900       1.189200    
 H    4.204700       3.199000     -0.2429000    
 H    2.460900       3.409700     -0.3446000    
 H    6.139800      -1.375500      0.8455000    
 H    5.553100      -1.469900     -0.8315000    
 H    5.584100      0.1004000      2.3700001E-02


%chk=000135852-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135852

0 1
S 1.441763 -1.794130 0.648799
P 2.197811 -0.019710 -0.572391
O 2.389657 1.337089 0.498393
O 3.826575 -0.560379 -0.860869
O 1.346097 0.399673 -1.849743
N -2.392575 -0.221292 -0.043668
C -3.624825 -0.242013 0.785096
C -2.359876 0.588425 -1.296715
C -1.097860 -0.390001 0.625368
C -3.900904 -1.667843 1.324790
C -3.647617 0.790002 1.952022
C -3.341716 0.041469 -2.358953
C -2.573543 2.112663 -1.074975
C -0.364591 -1.607858 0.020518
C 3.106731 1.142263 1.792652
C 4.554266 0.035087 -2.009560
C 3.029886 2.479543 2.523455
H -4.454132 0.016713 0.098979
H -1.334897 0.463008 -1.699488
H -0.456212 0.513753 0.519284
H -1.234279 -0.552810 1.709784
H -3.958197 -2.388569 0.490727
H -4.850848 -1.700104 1.890860
H -3.094438 -1.995735 2.008680
H -4.631825 0.774532 2.457230
H -2.882339 0.552286 2.714907
H -3.462160 1.814324 1.587204
H -3.206170 0.578540 -3.315843
H -3.162937 -1.034625 -2.529033
H -4.397007 0.173079 -2.053041
H -1.868919 2.505800 -0.319347
H -3.605987 2.331459 -0.743330
H -2.398162 2.663224 -2.017870
H -0.312237 -1.536233 -1.077451
H -0.847837 -2.557938 0.303684
H 2.607210 0.331962 2.359278
H 4.151332 0.844304 1.583052
H 3.551187 2.405208 3.495992
H 3.508068 3.277100 1.930096
H 1.980200 2.763673 2.708264
H 5.515182 -0.499842 -2.031545
H 3.999377 -0.129147 -2.949427
H 4.721948 1.116750 -1.855766


