%chk=000004202.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004202

0 1
 S    3.834000     -7.7299997E-02  0.5535000    
 O    2.921100      0.1718000     -0.8018000    
 O    5.208600      5.0900001E-02  7.1599998E-02
 O    3.427300      0.9825000       1.475000    
 O    3.482400      -1.427100      0.9919000    
 N   -2.505300     -2.3300000E-02  6.0000003E-04
 N  -0.4674000       1.233200     -6.8999998E-02
 N    1.559200      0.1006000     -0.6037000    
 N    1.647800      -2.234800      -1.074200    
 N    1.580800       2.406100     -0.1569000    
 C   -5.348200     -2.9999999E-02  0.4983000    
 C   -4.493600      -1.264600      0.7575000    
 C   -4.740600      0.8035000     -0.6233000    
 C   -3.041700     -0.8924000       1.054400    
 C   -3.291500       1.176900     -0.3188000    
 C   -1.120900      3.9900001E-02 -0.2012000    
 C  -0.4425000      -1.140000     -0.5366000    
 C   0.9274000      -1.073800     -0.7355000    
 C   0.8630000       1.197800     -0.2817000    
 H   -6.366400     -0.3316000      0.2288000    
 H   -5.418900      0.5717000       1.412300    
 H   -4.907900      -1.834100       1.596900    
 H   -4.527900      -1.918700     -0.1230000    
 H   -4.781100      0.2331000      -1.559900    
 H   -5.332900       1.712800     -0.7748000    
 H   -2.977000     -0.3715000       2.018000    
 H   -2.463500      -1.818200       1.151100    
 H   -2.880300       1.687600      -1.198500    
 H   -3.250100       1.878900      0.5233000    
 H  -0.9718000      -2.081100     -0.6528000    
 H    1.390200      -2.630800      -1.973900    
 H    1.647600      -2.945000     -0.3473000    
 H    1.081800       3.251800      8.2900003E-02
 H    2.577300       2.426900     -0.3246000    


%chk=000004202-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004202

0 1
S 4.344544 0.190301 -0.330900
O 2.516131 -0.036676 -1.382276
O 5.408371 0.179176 -1.543512
O 4.026196 1.623129 0.393612
O 4.241583 -1.150632 0.605304
N -2.589636 -0.078533 0.546406
N -0.625152 1.098637 0.050673
N 1.385786 -0.060325 -0.556524
N 1.727120 -2.348285 -0.130906
N 1.340723 2.292634 -0.469095
C -5.448679 0.053276 -0.091428
C -4.643163 -1.258284 -0.233857
C -4.520024 1.275530 -0.277987
C -3.430772 -1.281481 0.729049
C -3.319946 1.206770 0.692012
C -1.238899 -0.119087 0.283056
C -0.473306 -1.329187 0.306949
C 0.870333 -1.291133 -0.109440
C 0.667621 1.126140 -0.307361
H -6.274515 0.076950 -0.826000
H -5.912583 0.094406 0.915944
H -5.281871 -2.136211 -0.020133
H -4.276762 -1.359782 -1.273711
H -4.144625 1.308795 -1.318948
H -5.072708 2.216424 -0.095821
H -3.790948 -1.310489 1.779312
H -2.836635 -2.189805 0.551428
H -2.602962 2.020470 0.514517
H -3.686261 1.277964 1.738641
H -0.866900 -2.268366 0.695848
H 1.386525 -3.273751 0.117914
H 2.746108 -2.164248 -0.116984
H 0.820120 3.157094 -0.336575
H 2.374185 2.290278 -0.440606


