%chk=000178889.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000178889

0 1
 S    5.837900     -0.8249000     -0.1160000    
 O   -3.196500       2.079400     -0.3770000    
 O   -2.669000      -3.661300     -4.9899999E-02
 O    6.299300      -1.477600       1.100900    
 O    6.261200      -1.333000      -1.413700    
 O   -4.402900      0.4659000      0.7172000    
 O   -4.309800      -2.064700      7.0200004E-02
 N  -7.5800002E-02 -0.6485000      3.8800001E-02
 N  -0.7724000      -1.797200     -2.2000000E-03
 C  -0.8552000      0.4713000      0.1152000    
 C   -2.154500      1.7200001E-02  0.1240000    
 C    1.319100     -0.6901000      2.4000001E-03
 C  -0.3373000       1.816500      0.1715000    
 C   -2.041500      -1.384100      5.0099999E-02
 C    4.093200     -0.7733000     -7.0299998E-02
 C    1.972800     -0.6492000      -1.221700    
 C    2.032200     -0.7721000       1.190400    
 C    3.366600     -0.6909000      -1.258300    
 C    3.426000     -0.8137000       1.154000    
 C   -3.334100      0.8292000      0.1941000    
 C  -0.1170000       2.529700      -1.007000    
 C  -5.7300001E-02   2.404400       1.405000    
 C   -3.101600      -2.352700      2.6600000E-02
 C    6.332200      0.8820000     -4.1800000E-02
 C   0.3831000       3.830700     -0.9517000    
 C   0.4425000       3.705500       1.460300    
 C   0.6628000       4.418500      0.2820000    
 C   -4.338200       2.943100     -0.3420000    
 C   -3.675500      -4.679800     -7.7000000E-02
 C   -3.985900       4.253700      -1.012900    
 C   -3.004400      -6.034100     -0.1615000    
 H    1.417600     -0.5835000      -2.153900    
 H    1.523800     -0.8027000       2.150600    
 H    3.865900     -0.6515000      -2.222200    
 H    3.971400     -0.8703000       2.091700    
 H  -0.3305000       2.086200      -1.976600    
 H  -0.2237000       1.862100       2.332800    
 H    5.924900       1.408000     -0.9074000    
 H    5.962000       1.318600      0.8877000    
 H    7.423400      0.9200000     -6.2199999E-02
 H   0.5540000       4.386200      -1.869100    
 H   0.6603000       4.163300       2.420700    
 H    1.051900       5.431500      0.3250000    
 H   -4.624600       3.124200      0.6997000    
 H   -5.170400       2.466500     -0.8715000    
 H   -4.320700      -4.529800     -0.9495000    
 H   -4.277500      -4.619900      0.8363000    
 H   -4.838400       4.938500      -1.006300    
 H   -3.143300       4.732400     -0.5030000    
 H   -3.675000       4.084700      -2.049100    
 H   -3.746000      -6.837400     -0.1841000    
 H   -2.383100      -6.100700      -1.060800    
 H   -2.340700      -6.189300      0.6954000    


%chk=000178889-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000178889

0 1
S 6.135676 -0.928186 -0.545122
O -3.541767 1.908977 -0.842632
O -2.681689 -3.460936 0.369326
O 6.479782 -2.521304 -0.398468
O 6.590524 -0.038831 -1.841876
O -4.185894 0.717031 1.055623
O -4.176770 -1.961890 -0.618888
N 0.072916 -0.411608 -0.064489
N -0.636339 -1.613052 -0.058123
C -0.772722 0.714409 -0.046288
C -2.082434 0.196871 -0.042489
C 1.502857 -0.493950 -0.165711
C -0.287491 2.103916 0.121565
C -1.943591 -1.232928 -0.037580
C 4.257555 -0.737304 -0.363443
C 2.241128 0.491861 -0.867094
C 2.146438 -1.625029 0.397121
C 3.642760 0.371151 -0.965766
C 3.546157 -1.752906 0.295758
C -3.360934 0.933742 0.139397
C -0.682592 3.126289 -0.780560
C 0.568723 2.430432 1.209272
C -3.048982 -2.220768 -0.132564
C 6.860977 -0.059808 1.002553
C -0.215599 4.447472 -0.604873
C 1.027824 3.752222 1.383856
C 0.641340 4.764983 0.474201
C -4.821700 2.684075 -0.747572
C -3.721832 -4.534002 0.263272
C -4.840506 3.650026 -1.927049
C -3.108095 -5.794408 0.862000
H 1.732689 1.330276 -1.348051
H 1.540929 -2.393652 0.883148
H 4.238412 1.093867 -1.533137
H 4.069938 -2.630490 0.688953
H -1.354346 2.877817 -1.606888
H 0.858537 1.652241 1.924099
H 6.544710 0.991297 0.959084
H 6.471202 -0.590415 1.881885
H 7.949524 -0.170609 0.899708
H -0.520273 5.227582 -1.310972
H 1.679563 3.993636 2.230414
H 1.000826 5.791060 0.608681
H -4.840796 3.201162 0.228627
H -5.656794 1.961766 -0.773862
H -3.986839 -4.653182 -0.803024
H -4.621810 -4.195612 0.807637
H -5.775663 4.238882 -1.911091
H -3.990169 4.352488 -1.878741
H -4.791969 3.103601 -2.884313
H -3.834311 -6.625782 0.806479
H -2.198417 -6.088502 0.311553
H -2.839364 -5.636976 1.920354


