%chk=000080735.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000080735

0 1
 S    2.251700     -0.4530000     -8.2400002E-02
 O    2.805500     -3.2299999E-02   1.396100    
 O    2.410300      -1.893600     -0.2036000    
 O    2.841100      0.4460000      -1.060600    
 N   -2.636900      -2.006100     -9.3000000E-03
 C   0.5372000     -0.1037000     -4.3099999E-02
 C   6.7699999E-02   1.209500     -1.4100000E-02
 C   -2.206800      0.3959000      1.7700000E-02
 C   -1.737500     -0.9174000     -1.1300000E-02
 C   -1.304300       1.459300      1.6300000E-02
 C  -0.3654000      -1.167300     -4.1700002E-02
 C    1.008100       2.370300     -1.5100000E-02
 C   -3.670700      0.6924000      5.0999999E-02
 H   -1.670200       2.483200      3.6899999E-02
 H  -1.9800000E-02  -2.197500     -6.1400000E-02
 H    1.803800       2.258700      0.7262000    
 H    1.433300       2.525800      -1.011100    
 H   0.4856000       3.296800      0.2521000    
 H   -4.129400      0.2631000      0.9480000    
 H   -3.868100       1.769800      7.1099997E-02
 H   -4.164500      0.2900000     -0.8398000    
 H   -3.635900      -1.856300      1.0600000E-02
 H   -2.278100      -2.951800     -3.2000002E-02
 H    2.412700     -0.5290000       2.152000    


%chk=000080735-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000080735

0 1
S 2.247163 -0.582212 -0.064454
O 2.661871 -0.050345 1.676684
O 2.378158 -2.193186 -0.166162
O 3.127675 0.332389 -1.070984
N -2.748028 -2.008503 -0.047767
C 0.429670 -0.102314 -0.011284
C 0.048794 1.256151 0.019023
C -2.305410 0.411165 -0.000644
C -1.844756 -0.946772 -0.026814
C -1.357846 1.457220 0.021144
C -0.447270 -1.195004 -0.029244
C 1.015625 2.422961 0.059983
C -3.792463 0.703438 0.002937
H -1.723630 2.491050 0.045234
H -0.047191 -2.214736 -0.049202
H 1.676581 2.357662 0.943221
H 1.670541 2.438217 -0.828856
H 0.463531 3.376048 0.107581
H -4.294301 0.260255 0.886868
H -3.986526 1.787947 0.024847
H -4.291344 0.296938 -0.900103
H -3.749609 -1.845741 -0.046859
H -2.417390 -2.968784 -0.064886
H 3.655556 -0.131043 1.772240


