%chk=000167942.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000167942

0 1
 S   -2.631000      0.9455000       1.776700    
 O   -1.839400      -1.435400      -1.845000    
 O   -5.733400       1.304200      -1.794200    
 O   -5.607300     -0.9333000      -1.376800    
 O    1.136300      -2.576000      0.4167000    
 O    3.371100      -1.104700      0.7460000    
 O    7.610500       1.901100      -1.091200    
 N   -3.277800     -0.6929000     -0.1274000    
 N  -0.2558000     -0.7671000      0.8538000    
 C   -2.793700     -0.8002000       1.252100    
 C   -4.048800       1.448000      0.6780000    
 C   -3.882400      0.5487000     -0.5658000    
 C   -1.534300      -1.473100      0.6893000    
 C   -2.183700      -1.278900     -0.6955000    
 C   -5.352100       1.223500       1.456600    
 C   -3.900200       2.927900      0.3201000    
 C   -5.151400      0.1959000      -1.274100    
 C   0.9825000      -1.391000      0.7005000    
 C    2.138200     -0.4399000      0.9230000    
 C    4.428200     -0.3550000      0.2871000    
 C    4.492500      0.9966000      0.5965000    
 C    5.415200     -0.9608000     -0.4779000    
 C    5.565500       1.757500      0.1318000    
 C    6.488100     -0.1999000     -0.9426000    
 C    6.563600       1.159300     -0.6376000    
 H   -3.434300      -1.427700       1.878500    
 H   -3.202000      0.9973000      -1.302100    
 H   -1.458000      -2.530600      0.9702000    
 H   -5.358900       1.787800       2.396900    
 H   -6.221100       1.562500      0.8818000    
 H   -5.513900      0.1672000       1.699000    
 H   -3.923700       3.561700       1.214500    
 H   -2.959300       3.127500     -0.2058000    
 H   -4.715000       3.261100     -0.3315000    
 H  -0.2596000      0.2229000       1.088700    
 H   -6.569000       1.093600      -2.262800    
 H    2.002100      0.3768000      0.2014000    
 H    2.074700     -5.0700001E-02   1.945600    
 H    3.751300       1.492500       1.215600    
 H    5.359500      -2.018800     -0.7171000    
 H    5.622100       2.814400      0.3775000    
 H    7.258800     -0.6781000      -1.541300    
 H    8.204100       1.327100      -1.605300    


%chk=000167942-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000167942

0 1
S -1.789232 -0.132202 1.386418
O -2.187618 1.137086 -2.707700
O -6.082821 2.057745 0.169065
O -6.135085 -0.164861 -0.521683
O 0.617130 -2.703639 -2.481958
O 2.414854 -0.184417 -0.588063
O 7.373132 1.863516 1.152823
N -3.246091 -0.024843 -0.850097
N -0.026070 -0.843236 -1.211012
C -2.406377 -1.042311 -0.167922
C -3.504718 0.798268 1.479230
C -3.962336 0.963053 -0.045777
C -1.438542 -1.024200 -1.412532
C -2.285299 0.225732 -1.872109
C -4.471378 -0.079888 2.303204
C -3.280535 2.171629 2.135563
C -5.482334 0.837802 -0.181723
C 0.904279 -1.695586 -1.772177
C 2.365922 -1.340918 -1.484559
C 3.685837 0.287523 -0.185601
C 4.913668 -0.271223 -0.615842
C 3.675453 1.386582 0.702550
C 6.129521 0.275376 -0.153040
C 4.890615 1.930349 1.162873
C 6.121261 1.372953 0.733752
H -2.894501 -1.988365 0.100400
H -3.680433 1.973430 -0.397155
H -1.578750 -1.900715 -2.069451
H -4.049886 -0.254179 3.306822
H -5.448306 0.426362 2.425535
H -4.647050 -1.060516 1.828777
H -2.952895 2.059008 3.183961
H -2.518541 2.757387 1.592876
H -4.228326 2.741118 2.130704
H 0.327018 -0.061055 -0.649304
H -7.071929 1.978013 0.086396
H 2.854693 -2.222893 -1.026050
H 2.865917 -1.119057 -2.448507
H 4.943772 -1.121646 -1.302998
H 2.716058 1.802825 1.023751
H 7.089389 -0.140044 -0.472777
H 4.875415 2.783906 1.852591
H 7.263317 2.632633 1.764645


