%chk=000057731.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000057731

0 1
 S    1.081900      -3.034100      0.8904000    
 O    1.073100       1.455600       1.082100    
 O   0.7695000     -0.8807000       2.364500    
 N   -2.467400      -1.965200     -0.7435000    
 N    5.014900       1.717500      -1.657300    
 C   -1.029100      -1.974200     -0.4938000    
 C   -2.801000     -0.9981000      -1.789800    
 C   -3.200400      -1.658700      0.4854000    
 C   -2.250500       2.836800      3.8000001E-03
 C   -1.222000       2.101300      0.8602000    
 C  -0.6952000      -3.012100      0.5704000    
 C   -3.630100       2.827800      0.6613000    
 C   0.1641000       2.141700      0.2326000    
 C   -2.049500      -1.298900      -3.075400    
 C   -4.701400      -1.708600      0.2562000    
 C    2.128600      0.8240000      0.4773000    
 C    2.301300     -0.5498000      0.6089000    
 C   -4.649400       3.588300     -0.1720000    
 C    1.372500      -1.354400       1.390500    
 C    3.023700       1.580700     -0.2718000    
 C    3.381100      -1.174200     -1.5500000E-02
 C    4.103500      0.9564000     -0.8963000    
 C    4.282200     -0.4211000     -0.7681000    
 H  -0.6941000     -0.9726000     -0.2022000    
 H  -0.4776000      -2.262400      -1.395200    
 H   -3.863400      -1.059300      -2.046800    
 H   -2.594700      3.1700000E-02  -1.476400    
 H   -3.028100      -2.416300       1.253600    
 H   -2.922800     -0.6877000      0.9076000    
 H   -2.308800       2.373800     -0.9880000    
 H   -1.925400       3.873900     -0.1457000    
 H   -1.521800       1.060200       1.013100    
 H   -1.176100       2.547100       1.861800    
 H   -1.005700      -4.014000      0.2552000    
 H   -1.144400      -2.805200       1.543100    
 H   -3.971900       1.794700      0.7939000    
 H   -3.571800       3.281100       1.657700    
 H   0.1278000       1.676700     -0.7613000    
 H   0.4991000       3.179300      0.1216000    
 H  -0.9970000      -1.003100      -3.024600    
 H   -2.112500      -2.358300      -3.347000    
 H   -2.491500     -0.7262000      -3.898900    
 H   -5.069300     -0.8363000     -0.2930000    
 H   -5.002200      -2.617900     -0.2756000    
 H   -5.220900      -1.708900       1.221300    
 H   -4.353200       4.634800     -0.2958000    
 H   -4.755300       3.140700      -1.165500    
 H   -5.628900       3.567700      0.3159000    
 H    2.890800       2.655700     -0.3657000    
 H    3.579000      -2.237700      7.9300001E-02
 H    5.123500     -0.9176000      -1.244800    
 H    4.885700       2.716100      -1.751500    
 H    5.797500       1.265000      -2.110700    


%chk=000057731-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000057731

0 1
S 1.051653 -2.796648 -0.811894
O 0.636537 1.774561 0.140989
O -0.305782 -0.784290 0.483871
N -3.049998 -3.574044 -0.933980
N 5.493130 2.231110 -0.284689
C -1.710772 -3.154698 -1.417459
C -3.945358 -4.091544 -1.999230
C -3.690174 -2.544409 -0.068304
C -1.299209 5.040827 0.474131
C -1.005300 3.527395 0.360525
C -0.640542 -3.507251 -0.366054
C -2.809555 5.344684 0.603404
C 0.491607 3.241636 0.227334
C -3.549135 -5.498578 -2.487353
C -4.642332 -3.151823 0.979588
C 1.908011 1.229626 0.001073
C 1.995015 -0.203662 -0.115119
C -3.110040 6.854425 0.718366
C 0.802162 -1.071991 -0.028581
C 3.071703 2.028611 -0.060747
C 3.292350 -0.760898 -0.295156
C 4.353137 1.437054 -0.233528
C 4.452172 0.019270 -0.352717
H -1.666900 -2.062092 -1.630644
H -1.479129 -3.677529 -2.362606
H -4.967419 -4.141786 -1.580248
H -3.996279 -3.390307 -2.871492
H -2.885729 -1.991815 0.450581
H -4.238573 -1.788044 -0.685026
H -0.898068 5.569828 -0.416155
H -0.768536 5.461429 1.354317
H -1.529148 3.101966 -0.516341
H -1.390719 2.995443 1.250550
H -0.508192 -4.596602 -0.272063
H -0.905079 -3.079251 0.614741
H -3.340388 4.925036 -0.274927
H -3.211476 4.815803 1.491058
H 0.909479 3.712433 -0.687896
H 1.048941 3.618838 1.110680
H -2.534834 -5.510941 -2.926670
H -3.562352 -6.209862 -1.643118
H -4.253802 -5.852842 -3.263396
H -5.478787 -3.701628 0.509619
H -4.092202 -3.859085 1.624534
H -5.077530 -2.356532 1.613821
H -2.617271 7.291311 1.607588
H -2.742872 7.400989 -0.170975
H -4.195342 7.044437 0.806904
H 2.999016 3.117242 0.021040
H 3.383296 -1.849809 -0.366614
H 5.431911 -0.454615 -0.478145
H 5.435174 3.241537 -0.196411
H 6.409930 1.812087 -0.411678


