%chk=000153914.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000153914

0 1
 S   0.7927000     -0.3769000      -2.015800    
 O   -4.825000      0.4786000      0.5208000    
 O    3.233000     -0.3744000     -0.9996000    
 O   -2.149000     -0.9189000      -2.551000    
 N    6.556800     -0.3776000      0.5931000    
 C   -4.550800      -1.770900     -0.2651000    
 C   -4.050200     -0.3904000     -0.1794000    
 C   -2.930500      0.2408000     -0.6697000    
 C   -4.046700      -2.663600      0.8911000    
 C   -3.015700       1.593200     -0.2459000    
 C   -4.197500       1.687600      0.4820000    
 C    5.573500     -0.3931000     -0.4796000    
 C   -4.533900      -4.107600      0.7722000    
 C    7.849400     -0.8778000      0.1187000    
 C    6.707300      0.9737000       1.138600    
 C   -1.904800     -0.3863000      -1.451800    
 C    4.162200     -0.3758000      8.5600004E-02
 C   -2.225700       2.746400     -0.3964000    
 C  -0.5226000     -0.3845000     -0.9195000    
 C   -4.656500       2.860900       1.078000    
 C   -3.992000      -4.973300       1.898400    
 C    8.416800      1.4900000E-02 -0.9720000    
 C    7.680500      0.9895000       2.305100    
 C   -2.661700       3.941700      0.1917000    
 C    1.929900     -0.3787000     -0.7355000    
 C   -3.855900       3.995300      0.9151000    
 C  -0.1022000     -0.3882000      0.3923000    
 C    1.318500     -0.3847000      0.4990000    
 H   -4.250500      -2.216000      -1.221100    
 H   -5.648000      -1.766700     -0.2619000    
 H   -2.949000      -2.649700      0.9059000    
 H   -4.377800      -2.240300       1.848200    
 H    5.663300      -1.306600      -1.083600    
 H    5.690500      0.4414000      -1.183400    
 H   -4.216400      -4.528300     -0.1889000    
 H   -5.629500      -4.131700      0.7911000    
 H    7.719600      -1.892500     -0.2799000    
 H    8.569500     -0.9983000      0.9348000    
 H    5.748000       1.306500       1.550400    
 H    6.983800       1.728600      0.3942000    
 H    3.986500      0.5207000      0.6894000    
 H    4.002000      -1.266500      0.7064000    
 H   -1.296000       2.724600     -0.9568000    
 H   -5.583700       2.894600       1.637600    
 H   -4.315900      -4.595900       2.873500    
 H   -4.354000      -6.000900       1.794300    
 H   -2.897600      -4.995500       1.884400    
 H    7.756400      0.1258000      -1.836400    
 H    8.706800       1.006600     -0.6142000    
 H    9.336600     -0.4452000      -1.353300    
 H    7.462200      0.1940000       3.026000    
 H    8.722900      0.9010000       1.985100    
 H    7.596700       1.942900       2.839100    
 H   -2.060500       4.840600      8.2099997E-02
 H   -4.168900       4.936600       1.360100    
 H  -0.7715000     -0.3981000       1.243400    
 H    1.841200     -0.3877000       1.446700    


%chk=000153914-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000153914

0 1
S 0.998232 -0.773179 -1.847803
O -4.941997 0.158819 0.617179
O 3.522854 -0.415568 -0.940053
O -1.942291 -1.229443 -2.186513
N 6.946977 0.176669 0.437426
C -4.537624 -1.983955 -0.535337
C -4.045265 -0.628027 -0.151261
C -2.843590 0.052164 -0.351650
C -4.762144 -2.934506 0.675270
C -2.984977 1.365931 0.287657
C -4.286144 1.384981 0.867495
C 5.907763 -0.326557 -0.490094
C -5.325569 -4.302586 0.230805
C 8.052034 -0.779314 0.702217
C 7.358110 1.574640 0.146208
C -1.716875 -0.507712 -1.151084
C 4.522696 -0.002178 0.085520
C -2.196304 2.541983 0.381687
C -0.340621 -0.251926 -0.719991
C -4.835014 2.475396 1.553413
C -5.539384 -5.270873 1.413755
C 9.016350 -1.055860 -0.483158
C 8.096956 2.249018 1.316523
C -2.725339 3.658366 1.064673
C 2.201713 -0.256600 -0.608872
C -4.021969 3.627742 1.650709
C 0.181209 0.238809 0.480338
C 1.608799 0.244341 0.555436
H -3.812022 -2.417461 -1.244094
H -5.495689 -1.873303 -1.082885
H -3.801137 -3.083625 1.206904
H -5.457004 -2.459668 1.395000
H 5.998000 -1.422171 -0.598078
H 5.988028 0.105139 -1.512994
H -4.634333 -4.760650 -0.505196
H -6.286466 -4.144446 -0.300317
H 7.592604 -1.731517 1.029171
H 8.631024 -0.406558 1.566972
H 6.436688 2.150240 -0.066567
H 7.983814 1.641333 -0.778620
H 4.406832 1.081776 0.280622
H 4.344206 -0.564700 1.020858
H -1.203818 2.591247 -0.075488
H -5.841337 2.434533 1.979202
H -6.246473 -4.846808 2.151567
H -5.947290 -6.240229 1.073114
H -4.586678 -5.471261 1.939167
H 8.472275 -1.449654 -1.361633
H 9.553826 -0.142042 -0.795112
H 9.773150 -1.806976 -0.190077
H 7.492017 2.187015 2.238386
H 9.077098 1.779621 1.514912
H 8.280835 3.314320 1.086047
H -2.127094 4.572870 1.141520
H -4.400564 4.511666 2.174757
H -0.459458 0.570263 1.300489
H 2.166980 0.594374 1.425481


