%chk=000135574.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000135574

1 1
 S   -1.457600      0.4389000      -1.806700    
 O   -6.033600     -0.4355000      0.3593000    
 N   -3.351900      0.3474000      0.1562000    
 N    1.126300     -0.4410000      0.4845000    
 C   -3.833300     -0.3053000       1.371200    
 C   -4.377200       1.041700     -0.6188000    
 C   -5.022500      -1.194000       1.028000    
 C   -5.542800      9.4200000E-02 -0.8749000    
 C   -2.035100      0.4547000     -0.1309000    
 C   0.3645000      0.6573000      0.5751000    
 C    2.453100     -0.3968000      0.2600000    
 C   -1.067300      0.5403000      0.8200000    
 C    3.081000      0.8599000      0.1123000    
 C   0.9277000       1.915100      0.4377000    
 C    2.294900       2.016400      0.2050000    
 C    3.199900      -1.575900      0.1744000    
 C    4.464600      0.9025000     -0.1207000    
 C   0.4577000      -1.746700      0.6395000    
 C    5.204100     -0.2792000     -0.2046000    
 C    4.573400      -1.514200     -5.7500001E-02
 C    6.673900     -0.2206000     -0.4525000    
 C   -2.099800      -1.159300      -2.356700    
 H   -4.135800      0.4662000       2.089500    
 H   -3.069000     -0.9310000       1.845900    
 H   -4.018200       1.441000      -1.572300    
 H   -4.726900       1.897600     -2.7700000E-02
 H   -4.723000      -2.036500      0.3927000    
 H   -5.460900      -1.604900       1.942800    
 H   -6.364300      0.6356000      -1.354500    
 H   -5.262000     -0.7335000      -1.534900    
 H   -1.329700      0.5576000       1.875600    
 H   0.3276000       2.817700      0.5091000    
 H    2.742500       3.001500      9.6799999E-02
 H    2.765400      -2.565200      0.2706000    
 H    4.965600       1.861500     -0.2388000    
 H   0.9626000      -2.295100       1.441500    
 H  -0.5901000      -1.699400      0.9285000    
 H   0.5289000      -2.277500     -0.3149000    
 H    5.142600      -2.437700     -0.1258000    
 H    7.114900      0.6728000      2.6000000E-03
 H    7.184600      -1.086400     -1.7000001E-02
 H    6.872800     -0.2020000      -1.528600    
 H   -1.824100      -1.951500      -1.655500    
 H   -1.671300      -1.398300      -3.333800    
 H   -3.185700      -1.127800      -2.459500    


%chk=000135574-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000135574

1 1
S -1.479907 -0.052757 -2.007612
O -6.165927 -0.249414 0.568959
N -3.379595 0.259647 -0.003101
N 1.104108 -0.418747 0.228452
C -3.871836 0.241731 1.403339
C -4.450709 0.613782 -0.980824
C -5.118618 -0.667153 1.504894
C -5.665143 -0.317113 -0.810685
C -2.033942 0.301658 -0.288741
C 0.358362 0.686990 0.625132
C 2.513740 -0.357830 0.087609
C -1.085726 0.747869 0.646296
C 3.219059 0.822032 0.512471
C 1.076759 1.840055 1.103010
C 2.458063 1.910422 1.057390
C 3.255897 -1.443656 -0.454630
C 4.639273 0.876575 0.390406
C 0.457948 -1.739270 0.034154
C 5.376121 -0.194036 -0.139106
C 4.650130 -1.352765 -0.562637
C 6.883181 -0.143426 -0.273813
C -2.387093 -1.666781 -2.425230
H -4.134973 1.271722 1.719169
H -3.075245 -0.141232 2.063525
H -4.046982 0.585539 -2.004848
H -4.769134 1.654963 -0.769855
H -4.830733 -1.723066 1.311312
H -5.563623 -0.588598 2.509372
H -6.499028 0.015906 -1.448026
H -5.398699 -1.365078 -1.067187
H -1.478913 1.398745 1.437791
H 0.483898 2.684444 1.462992
H 2.978848 2.806352 1.410744
H 2.758412 -2.346351 -0.815210
H 5.155116 1.785452 0.721123
H 1.044716 -2.507318 0.563346
H -0.552772 -1.705632 0.463093
H 0.383719 -1.993011 -1.036398
H 5.203392 -2.195163 -0.993485
H 7.295604 0.811830 0.089387
H 7.361913 -0.958505 0.299659
H 7.192934 -0.266714 -1.328036
H -2.271831 -2.390220 -1.604640
H -1.893893 -2.043113 -3.334521
H -3.450370 -1.484165 -2.632843


