%chk=000006939.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000006939

0 1
 S    3.078600      0.5178000      7.4800000E-02
 O    3.625200      0.1084000      -1.409200    
 O    3.218800       1.959900      0.1992000    
 O    3.685500     -0.3767000       1.045600    
 O   -3.722600       1.504800      7.6000001E-03
 N   -2.742700     -0.6393000     -1.8600000E-02
 N    1.813600      -2.255500      6.5000001E-03
 C    1.367200      0.1469000      4.7300000E-02
 C   0.9097000      -1.170500      1.6200000E-02
 C   -1.372500     -0.3774000      3.3000000E-03
 C  -0.4602000      -1.432600     -5.7999999E-03
 C   0.4548000       1.202000      5.6299999E-02
 C  -0.9150000      0.9399000      3.4400001E-02
 C   -3.799600      0.2807000     -1.3800000E-02
 C   -5.140800     -0.4082000     -4.3699998E-02
 H  -0.8169000      -2.460300     -2.9999999E-02
 H   0.7776000       2.238700      7.7699997E-02
 H   -1.559500       1.807700      4.2700000E-02
 H   -2.996200      -1.625000     -4.0500000E-02
 H    1.458100      -3.202400     -1.8400000E-02
 H    2.812100      -2.102600      5.7999999E-03
 H    3.224900      0.6070000      -2.159900    
 H   -5.235500     -0.9924000     -0.9633000    
 H   -5.940900      0.3365000     -1.1300000E-02
 H   -5.237600      -1.069900      0.8217000    


%chk=000006939-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000006939

0 1
S 3.124022 0.551126 -0.024371
O 3.338349 0.490497 -1.876561
O 3.404942 2.069117 0.454310
O 4.018058 -0.663529 0.602605
O -3.805070 1.464529 -0.178554
N -2.804645 -0.655445 0.012902
N 1.760112 -2.291857 0.259411
C 1.331492 0.134997 0.037338
C 0.894523 -1.225314 0.139181
C -1.420971 -0.336943 0.017481
C -0.517831 -1.418268 0.128422
C 0.439277 1.220089 -0.070585
C -0.944885 1.005451 -0.072803
C -3.906159 0.209267 -0.081432
C -5.262108 -0.492090 -0.063655
H -0.898267 -2.444660 0.211777
H 0.841625 2.236267 -0.137600
H -1.652288 1.830357 -0.148692
H -3.026385 -1.650709 0.085565
H 1.397234 -3.239065 0.320068
H 2.766358 -2.117794 0.375639
H 4.273333 0.791638 -2.074543
H -5.781676 -0.290657 -1.016593
H -5.877874 -0.055084 0.740559
H -5.205066 -1.584420 0.084730


