%chk=000113304.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000113304

0 1
 S    4.916900      -1.573500      0.6183000    
 S   -4.918900      -1.572700     -0.6183000    
 O  -6.0000003E-04   2.720300      1.9999999E-04
 N    6.835100      -3.348300      0.9470000    
 N   -6.837400      -3.347200     -0.9471000    
 N    7.194400      -1.750900     -0.7548000    
 N   -7.196400      -1.750000      0.7549000    
 C    3.528700      0.5754000     -0.4143000    
 C   -3.530400      0.5758000      0.4146000    
 C    1.176400       2.003900     -0.1381000    
 C   -1.157600       2.016300      0.1361000    
 C    2.397900      0.2045000      -1.142000    
 C   -2.399600      0.2046000       1.142200    
 C    3.473200       1.666600      0.4526000    
 C   -3.474700       1.667200     -0.4522000    
 C    1.211600      0.9250000      -1.002600    
 C   -1.213200      0.9250000       1.002900    
 C    2.286900       2.387000      0.5920000    
 C   -2.288300       2.387400     -0.5915000    
 C    4.796400     -0.1955000     -0.5629000    
 C   -4.798200     -0.1949000      0.5631000    
 C    6.480600      -2.263300      0.1959000    
 C   -6.482700      -2.262400     -0.1959000    
 H    2.428600     -0.6413000      -1.823900    
 H   -2.430500     -0.6413000       1.823900    
 H    4.346400       1.965600       1.026400    
 H   -4.348000       1.966200      -1.026000    
 H   0.3520000      0.6308000      -1.597700    
 H  -0.3550000      0.6273000       1.599700    
 H    2.244800       3.235900       1.267600    
 H   -2.250800       3.236300      -1.268600    
 H    5.653300      0.4743000     -0.4231000    
 H    4.870800     -0.5889000      -1.583700    
 H   -5.655000      0.4750000      0.4234000    
 H   -4.872700     -0.5885000       1.583900    
 H    6.229100      -3.701900       1.679400    
 H    7.713900      -3.831600      0.7964000    
 H   -6.231100      -3.701300      -1.678900    
 H   -7.715900      -3.830900     -0.7960000    
 H    8.061500      -2.291600     -0.8457000    
 H   -8.063500      -2.290600      0.8457000    


%chk=000113304-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000113304

0 1
S 5.481211 -1.085912 1.171025
S -5.476530 -1.091172 -1.177656
O -0.001992 2.734805 0.007526
N 5.338013 -3.753686 0.926288
N -5.326727 -3.758122 -0.927684
N 4.897236 -2.505667 -1.116620
N -4.903702 -2.505476 1.116174
C 3.817767 0.879911 -0.104507
C -3.821487 0.878530 0.102591
C 1.234039 2.040457 -0.010835
C -1.238019 2.040173 0.019663
C 2.714092 0.245800 -0.735369
C -2.720903 0.246626 0.741155
C 3.600062 2.113128 0.562660
C -3.600966 2.110155 -0.566509
C 1.426064 0.816304 -0.695842
C -1.433072 0.817824 0.706998
C 2.316791 2.695516 0.614607
C -2.317666 2.693106 -0.613150
C 5.187205 0.255841 -0.167148
C -5.190859 0.253610 0.159134
C 5.189839 -2.608047 0.150828
C -5.187189 -2.610821 -0.153104
H 2.883696 -0.701923 -1.258950
H -2.892935 -0.699719 1.266400
H 4.440878 2.621644 1.049903
H -4.439445 2.616959 -1.059528
H 0.586747 0.328573 -1.201345
H -0.596078 0.332172 1.218366
H 2.137793 3.647339 1.123454
H -2.136462 3.643715 -1.123480
H 5.996865 0.982828 0.001737
H 5.348844 -0.302188 -1.106160
H -6.000082 0.979640 -0.015911
H -5.357421 -0.302324 1.098506
H 5.567354 -3.693728 1.917049
H 5.208256 -4.674642 0.512456
H -5.547907 -3.700398 -1.920432
H -5.198597 -4.678078 -0.511123
H 4.770466 -3.400168 -1.624298
H -4.777178 -3.398789 1.626030


