%chk=000072752.chk
%nprocshared=8
%mem=31GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000072752

0 1
 S    3.978400      0.7746000      3.8600001E-02
 O    1.492500       2.344300      2.9899999E-02
 O    3.215900      -2.090600      1.6300000E-02
 O   -1.053800       2.626900      1.5600000E-02
 O   -1.839700      -2.657900     -1.3100000E-02
 O    4.841700     -0.2543000     -0.8896000    
 O    3.954600       2.055200     -0.6473000    
 O    4.455600      0.6665000       1.405600    
 N   0.7045000      -3.171600      1.0000000E-03
 C  -0.2522000     -0.8963000      4.6999999E-03
 C  -4.9899999E-02  0.4854000      1.2400000E-02
 C   0.8473000      -1.763000      6.5000001E-03
 C    1.251900       1.000500      2.2900000E-02
 C    2.344800      0.1332000      2.5200000E-02
 C   -2.569100      0.8544000      6.0000003E-04
 C   -2.771500     -0.5273000     -7.0000002E-03
 C   -1.620400      -1.453100     -5.2999998E-03
 C   -1.200900       1.411200      9.7000003E-03
 C    2.142900      -1.245500      1.6700000E-02
 C   -3.668600       1.721100     -6.0000003E-04
 C   -4.073400      -1.042300     -1.6100001E-02
 C   -4.964200       1.203700     -9.3999999E-03
 C   -5.166200     -0.1750000     -1.7200001E-02
 H   -3.539900       2.800100      5.2999998E-03
 H   -4.260300      -2.112700     -2.2200000E-02
 H    1.530500      -3.755800     -5.0000002E-04
 H  -0.2083000      -3.603200     -1.1200000E-02
 H   -5.816800       1.876700     -1.0300000E-02
 H   -6.176000     -0.5751000     -2.4200000E-02
 H   0.6663000       2.848900      2.8200001E-02
 H    4.020200      -1.633000      0.3052000    
 H    4.567300     -0.3036000      -1.835500    


%chk=000072752-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000072752

0 1
S 3.947150 1.032988 -0.136059
O 1.407466 2.338082 -0.003562
O 3.123199 -2.228653 -0.240612
O -1.010632 2.685860 0.087051
O -1.930606 -2.784569 -0.099777
O 4.965510 -0.626110 -0.231174
O 4.248451 1.807961 -1.509055
O 4.330739 1.701934 1.270891
N 0.669097 -3.200157 -0.198364
C -0.339053 -0.966473 -0.078347
C -0.135165 0.455885 -0.028519
C 0.784577 -1.841034 -0.148679
C 1.182485 1.000693 -0.048863
C 2.293289 0.108230 -0.119433
C -2.613684 0.864961 0.064830
C -2.835718 -0.547152 0.015968
C -1.702117 -1.511844 -0.057003
C -1.241096 1.393463 0.042976
C 2.142215 -1.288664 -0.170879
C -3.716063 1.755147 0.133906
C -4.163841 -1.041473 0.037527
C -5.029272 1.249990 0.154480
C -5.253018 -0.151499 0.106199
H -3.513567 2.829702 0.169912
H -4.309699 -2.125228 -0.000586
H 1.514791 -3.767627 -0.248621
H -0.293904 -3.576243 -0.181809
H -5.879708 1.937689 0.207759
H -6.276503 -0.540719 0.122603
H 0.415450 2.793012 0.046056
H 4.064202 -1.772937 -0.253004
H 5.938224 -0.442814 -0.270912


