%chk=000080836.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080836

0 1
 S    3.492300       1.802600      -1.384700    
 O  -0.4211000       1.933800      0.3422000    
 O   -4.552200      -1.414100     -0.1790000    
 O    2.744100       3.004400     -0.5695000    
 O    4.802200       2.300200      -1.772700    
 O    2.567800       1.283100      -2.378200    
 N    1.334100      5.8400001E-02 -0.1219000    
 N   -3.008400      -3.460400     -0.6711000    
 C   -1.115900     -0.2901000     -9.1600001E-02
 C   -2.195600      -1.165200     -0.2280000    
 C   0.1919000     -0.7655000     -0.2465000    
 C   -2.727100       1.625100      0.3758000    
 C   -1.967700      -2.515400     -0.5197000    
 C   -3.806800      0.7500000      0.2397000    
 C   -1.342100       1.137000      0.2147000    
 C   -3.580500     -0.6772000     -6.7100003E-02
 C   0.4146000      -2.111800     -0.5373000    
 C    2.650500     -0.1993000      0.2999000    
 C  -0.6628000      -2.984800     -0.6736000    
 C    3.730600      0.5318000     -0.2037000    
 C   -2.955100       2.975400      0.6669000    
 C   -5.114600       1.225300      0.3944000    
 C    2.879000      -1.206200       1.242300    
 C    5.027400      0.2582000      0.2315000    
 C    5.250000     -0.7477000       1.171900    
 C   -4.259900       3.444900      0.8200000    
 C   -5.337400       2.571800      0.6838000    
 C    4.175800      -1.480000       1.677300    
 C   -2.849100      -4.843700     -0.3533000    
 C    6.636100      -1.040500       1.637500    
 H    1.167600       1.023100     -0.3886000    
 H    1.412900      -2.509000     -0.6995000    
 H  -0.4433000      -4.019700     -0.9193000    
 H   -2.134000       3.678300      0.7782000    
 H   -5.973200      0.5669000      0.2938000    
 H   -3.953900      -3.102900     -0.7377000    
 H    2.062400      -1.775300       1.678500    
 H    5.878600      0.8187000     -0.1451000    
 H   -4.436200       4.492800       1.045600    
 H   -6.352200       2.940100      0.8034000    
 H    4.334800      -2.260700       2.416600    
 H   -2.404700      -4.983900      0.6377000    
 H   -3.829200      -5.332000     -0.3429000    
 H   -2.242700      -5.363700      -1.101500    
 H    7.356500     -0.9252000      0.8205000    
 H    6.911200     -0.3600000       2.449400    
 H    6.726000      -2.070000       2.000500    
 H    3.253200       3.385400      0.1842000    


%chk=000080836-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000080836

0 1
S 3.161983 1.966136 -1.022453
O -0.255124 1.935766 0.461610
O -4.636393 -1.381207 -0.237590
O 2.292309 3.005220 0.225494
O 4.507104 2.761783 -1.417499
O 2.105249 1.509501 -2.162856
N 1.326307 -0.064997 0.454331
N -3.112066 -3.442414 -0.403641
C -1.083255 -0.326366 0.176034
C -2.229473 -1.185647 -0.034322
C 0.242132 -0.896355 0.223642
C -2.630990 1.685748 0.253819
C -2.040272 -2.605995 -0.221419
C -3.759382 0.833017 0.077000
C -1.267950 1.124033 0.303356
C -3.584668 -0.630578 -0.074168
C 0.400573 -2.302140 -0.025277
C 2.691445 -0.377953 0.591770
C -0.694681 -3.122641 -0.240619
C 3.676270 0.498177 0.060966
C -2.821658 3.086733 0.388137
C -5.062364 1.392035 0.037930
C 3.184833 -1.484589 1.337910
C 5.054518 0.328633 0.241090
C 5.531432 -0.783846 0.978741
C -4.117335 3.631683 0.347400
C -5.241956 2.781126 0.172062
C 4.568916 -1.680832 1.511941
C -3.017559 -4.884029 -0.626182
C 7.016410 -0.982641 1.214010
H 1.018952 0.941907 0.507368
H 1.406848 -2.724217 -0.086801
H -0.532437 -4.184875 -0.444595
H -1.940677 3.720421 0.524313
H -5.908421 0.712367 -0.100188
H -4.030480 -2.940996 -0.393818
H 2.473858 -2.158032 1.825524
H 5.743321 1.057592 -0.200481
H -4.260084 4.712520 0.450756
H -6.249862 3.208636 0.140317
H 4.911059 -2.541186 2.099087
H -2.517978 -5.402778 0.215723
H -4.036945 -5.291039 -0.716884
H -2.469806 -5.129267 -1.557990
H 7.616370 -0.568088 0.385906
H 7.341509 -0.473147 2.141728
H 7.269683 -2.051855 1.319494
H 1.294635 2.927676 0.073124


