%chk=000166085.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000166085

0 1
 S   0.5598000      -3.744000      0.8566000    
 O   -1.501800       2.661600      0.4235000    
 O   -4.297600      -1.796200     -0.5016000    
 O   0.7152000      -4.335300     -0.6578000    
 O    1.899700      -3.476700       1.352100    
 O  -0.3503000      -4.605500       1.591000    
 O    3.233100     -0.8431000      -2.285100    
 N   0.6688000       1.342500       1.020500    
 N   -2.288500      -3.334500      4.1299999E-02
 N    4.865600      0.4894000      -1.228700    
 C   -1.475600      0.2923000      0.3716000    
 C   -2.205400     -0.8735000      0.1298000    
 C  -0.1328000      0.2078000      0.7588000    
 C   -1.592300      -2.123800      0.2747000    
 C  -0.2538000      -2.203400      0.6605000    
 C   -2.109900       1.617900      0.2219000    
 C   -3.527500       1.692600     -0.1863000    
 C   -4.257400      0.5269000     -0.4279000    
 C   -3.623000     -0.7988000     -0.2789000    
 C   0.4743000      -1.040200      0.9020000    
 C    2.047500       1.583900      0.8855000    
 C   -4.140700       2.942900     -0.3311000    
 C   -5.600400      0.6113000     -0.8144000    
 C    2.782700      0.9224000     -0.1012000    
 C   -5.479200       3.022600     -0.7163000    
 C   -6.207500       1.859300     -0.9577000    
 C    4.150300       1.162200     -0.2349000    
 C    2.688100       2.486500       1.737900    
 C    4.786700       2.064100      0.6180000    
 C    4.055700       2.726300       1.604200    
 C    6.250300       2.340500      0.4980000    
 C    4.384700     -0.4395000      -2.159300    
 C    5.481300     -0.9385000      -3.066600    
 H    1.505900      -1.106500       1.233600    
 H   0.1557000       2.120300       1.424300    
 H   -3.596800       3.866000     -0.1496000    
 H   -6.192300     -0.2790000      -1.008900    
 H   -1.827100      -4.229300      0.1191000    
 H   -3.258500      -3.320200     -0.2399000    
 H    2.236400      0.2644000     -0.7595000    
 H   -5.954300       3.992900     -0.8284000    
 H   -7.249400       1.924300      -1.257600    
 H    2.129900       3.008300       2.511200    
 H    4.535400       3.431900       2.277200    
 H    6.829900       1.425500      0.6595000    
 H    6.484800       2.754300     -0.4883000    
 H    6.587500       3.070800       1.242000    
 H    5.858700      0.6987000      -1.284500    
 H    1.258800      -3.788000      -1.272000    
 H    5.898700     -0.1033000      -3.635900    
 H    5.077500      -1.677600      -3.764100    
 H    6.270700      -1.406900      -2.472000    


%chk=000166085-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000166085

0 1
S 0.911016 -3.546784 0.146905
O -1.700272 2.830031 0.693370
O -4.393576 -1.803486 -0.686211
O 1.621420 -3.456535 -1.507136
O 2.080896 -3.375074 1.253076
O -0.030085 -4.867068 0.120842
O 3.384700 -1.502653 -1.446877
N 0.542137 1.589098 0.789006
N -2.219899 -3.197391 -0.484791
N 4.919795 0.198131 -1.009169
C -1.583266 0.447336 0.270318
C -2.289160 -0.770113 -0.059978
C -0.168512 0.419749 0.532649
C -1.591362 -2.038971 -0.139826
C -0.192639 -2.000608 0.204028
C -2.303937 1.730632 0.353169
C -3.751730 1.758650 0.054750
C -4.443461 0.561228 -0.284523
C -3.730404 -0.740555 -0.355660
C 0.488005 -0.851965 0.553804
C 1.943652 1.759086 0.693927
C -4.457186 2.988934 0.114668
C -5.833883 0.609093 -0.561051
C 2.721291 0.955143 -0.176649
C -5.835518 3.027363 -0.162858
C -6.526117 1.832859 -0.501544
C 4.124401 1.084884 -0.211030
C 2.583836 2.779829 1.443726
C 4.789615 2.099581 0.543232
C 3.980332 2.945052 1.340182
C 6.299393 2.262497 0.510437
C 4.563021 -1.025357 -1.548522
C 5.664432 -1.784011 -2.270788
H 1.530023 -0.931898 0.875391
H -0.094262 2.414285 0.917377
H -3.898811 3.891364 0.380456
H -6.339063 -0.326509 -0.818480
H -1.701633 -4.085877 -0.445774
H -3.232121 -3.113908 -0.687844
H 2.247405 0.229418 -0.833476
H -6.377808 3.977859 -0.117908
H -7.599716 1.865081 -0.716216
H 1.996757 3.420263 2.110010
H 4.465518 3.736513 1.922721
H 6.823460 1.356381 0.874318
H 6.681411 2.490357 -0.506201
H 6.612335 3.097894 1.157548
H 5.896598 0.472185 -1.132530
H 2.389257 -2.765319 -1.507640
H 5.335293 -2.009827 -3.299568
H 5.827120 -2.750393 -1.762289
H 6.622904 -1.239870 -2.315071


