%chk=000173587.chk
%nprocshared=4
%mem=7500MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173587

0 1
 S   -3.823500      -1.969600     -0.5172000    
 O   -3.202100       2.314600      0.3025000    
 O   -7.601700      0.5691000      0.8189000    
 O   -6.761900       1.703500     -0.9710000    
 O   0.3439000       1.297200     -0.8589000    
 O    1.613700      -1.558200       2.403700    
 N   -4.380900      0.5542000     -0.7374000    
 N   -1.322600     -0.2002000     -0.3151000    
 N    2.732200      -1.241600       1.642500    
 C   -3.597500     -0.4334000      -1.485800    
 C   -5.529300      -1.434600      5.9000002E-03
 C   -5.391600      9.1799997E-02  0.1922000    
 C   -2.353900      0.4077000      -1.167700    
 C   -3.317300       1.345900     -0.4136000    
 C   -6.514100      -1.855800      -1.093500    
 C   -5.886000      -2.127200       1.322400    
 C   -6.632100      0.8831000     -7.4699998E-02
 C  -2.0099999E-02  0.3065000     -0.2259000    
 C   0.8882000     -0.3927000      0.6927000    
 C    2.260100     -0.5347000      0.6118000    
 C    3.190900     -2.8000001E-02 -0.4109000    
 C   0.5078000      -1.036500       1.813900    
 C    4.322900      -1.046500     -0.6138000    
 C    3.587600       1.428900     -0.1281000    
 C  -0.7701000      -1.281800       2.496100    
 C    4.140200      -2.051100      -1.531900    
 C    3.849000       2.253000      -1.194800    
 C    5.467800     -0.9071000      0.1313000    
 C    3.662900       1.843000       1.178900    
 C    5.168000      -2.975900      -1.716400    
 C    4.209100       3.575900     -0.9381000    
 C    6.495700      -1.831900     -5.3399999E-02
 C    4.022800       3.166100       1.435500    
 C    6.345700      -2.866100     -0.9772000    
 C    4.295900       4.032400      0.3769000    
 H   -3.882500     -0.4894000      -2.540300    
 H   -5.042700      0.3469000       1.202000    
 H   -1.925000      0.8788000      -2.060600    
 H   -6.314400      -1.350400      -2.045100    
 H   -6.474500      -2.936800      -1.273600    
 H   -7.546900      -1.622800     -0.8114000    
 H   -5.892000      -3.218200       1.213500    
 H   -5.177300      -1.875500       2.120100    
 H   -6.882900      -1.832800       1.667000    
 H   -1.547300      -1.060900      0.1735000    
 H   -8.425200       1.077700      0.6599000    
 H    2.637600      1.8000000E-03  -1.362900    
 H   -1.282000      -2.147000       2.064400    
 H  -0.6087000      -1.492000       3.558900    
 H   -1.431400     -0.4119000       2.438700    
 H    3.225900      -2.144500      -2.109300    
 H    3.785300       1.903300      -2.220200    
 H    5.610000     -0.1212000      0.8637000    
 H    3.483500       1.204200       2.034900    
 H    5.051000      -3.781700      -2.435100    
 H    4.422500       4.250300      -1.762200    
 H    7.411900      -1.748400      0.5239000    
 H    4.096000       3.520900       2.459500    
 H    7.145800      -3.586600      -1.120300    
 H    4.577600       5.062000      0.5768000    


%chk=000173587-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000173587

0 1
S -3.207850 -2.121659 -0.209724
O -4.287867 1.788417 1.199263
O -8.042866 -0.984259 -0.370609
O -6.973595 -0.020283 -2.200543
O 0.110032 1.760968 -0.723236
O 1.799524 0.452699 3.391359
N -4.565124 0.149707 -0.578992
N -1.413646 0.453390 0.458865
N 2.893283 0.522409 2.395424
C -3.304938 -0.442858 -1.101140
C -5.156967 -2.246397 -0.302326
C -5.666945 -0.733813 -0.200691
C -2.512564 0.741983 -0.424703
C -3.892898 1.086176 0.254263
C -5.520372 -2.912389 -1.647320
C -5.648922 -3.075282 0.896901
C -6.914981 -0.512720 -1.060144
C -0.156876 1.039765 0.289273
C 0.821618 0.768309 1.370440
C 2.265655 0.723682 1.217636
C 3.042260 0.824422 -0.086772
C 0.581184 0.605387 2.734326
C 3.286847 -0.563379 -0.706155
C 4.326873 1.663215 0.061564
C -0.636239 0.614454 3.604845
C 3.250717 -0.693680 -2.117981
C 4.270588 3.047345 -0.239322
C 3.584192 -1.706548 0.077665
C 5.552502 1.106626 0.500337
C 3.511338 -1.936303 -2.735573
C 5.415449 3.863587 -0.100652
C 3.843433 -2.951850 -0.538912
C 6.698267 1.920695 0.639655
C 3.809329 -3.072139 -1.946782
C 6.635080 3.301557 0.340913
H -3.229082 -0.569430 -2.188721
H -5.943420 -0.519047 0.848628
H -2.173444 1.497645 -1.153544
H -5.181907 -2.315602 -2.511538
H -5.047527 -3.906169 -1.709604
H -6.615854 -3.049877 -1.728196
H -5.280754 -4.114301 0.834846
H -5.309926 -2.641808 1.853751
H -6.754182 -3.102239 0.898251
H -1.560527 -0.232216 1.202762
H -8.856397 -0.848342 -0.928480
H 2.373943 1.376852 -0.772249
H -1.040818 -0.405451 3.752404
H -0.380835 1.011087 4.601404
H -1.430667 1.242258 3.167411
H 3.019155 0.184382 -2.733100
H 3.324536 3.486116 -0.580607
H 3.608261 -1.623414 1.170306
H 5.614239 0.038177 0.730340
H 3.479488 -2.019412 -3.827917
H 5.356324 4.931894 -0.338158
H 4.071982 -3.826894 0.080373
H 7.640615 1.477623 0.981634
H 4.009417 -4.038171 -2.423922
H 7.525863 3.930902 0.448373


