%chk=000173416.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000173416

0 1
 S   -2.079300       2.295700     -0.1511000    
 O    2.185000       1.819600       1.100500    
 O   -5.096600      -1.768800      4.3900002E-02
 O   -1.478500       2.566800      -1.644100    
 O   -3.405400       2.885700     -0.1061000    
 O   -1.065100       2.654300      0.8232000    
 N    2.523300     -0.2788000      5.4299999E-02
 N    3.574200     -0.9901000     -0.4693000    
 C   -1.182000     -0.3328000      1.0900000E-02
 C    1.212700     -0.7579000      6.5300003E-02
 C   -1.424000      -1.725000      8.7099999E-02
 C   -2.271300      0.5514000     -5.3199999E-02
 C   0.1424000      0.1346000      8.9999998E-04
 C    4.363500       1.052000      0.3479000    
 C   0.9747000      -2.127100      0.1402000    
 C  -0.3345000      -2.609000      0.1510000    
 C    2.881700      0.9677000      0.5752000    
 C    4.630700     -0.2579000     -0.3150000    
 C   -2.748400      -2.192200      9.7000003E-02
 C   -3.580700      6.9600001E-02 -4.2199999E-02
 C   -3.818800      -1.299500      3.3100002E-02
 C    5.996500     -0.6581000     -0.7495000    
 H   0.3613000       1.178400     -0.1724000    
 H    4.899200       1.121000       1.296300    
 H    4.607800       1.879700     -0.3202000    
 H    1.792600      -2.840700      0.1981000    
 H  -0.4971000      -3.683200      0.2115000    
 H   -2.944200      -3.261500      0.1555000    
 H   -4.439300      0.7327000     -9.3999997E-02
 H    5.975800      -1.649800      -1.208700    
 H    6.661700     -0.6761000      0.1176000    
 H    6.372800      6.7500003E-02  -1.475200    
 H   -5.076200      -2.739600      9.9699996E-02
 H   -2.057500       2.285700      -2.391200    


%chk=000173416-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000173416

0 1
S -2.382103 2.293334 0.231583
O 2.149585 2.236042 -0.448866
O -5.197473 -1.998780 -0.024771
O -1.570997 2.657050 -1.400227
O -3.891050 2.863665 0.207558
O -1.347107 2.784993 1.380171
N 2.497400 -0.112473 -0.119028
N 3.614386 -1.013801 -0.024589
C -1.245372 -0.360053 0.026253
C 1.181813 -0.654021 -0.066284
C -1.432372 -1.799080 -0.043640
C -2.450763 0.411632 0.082546
C 0.068923 0.193371 0.021853
C 4.432888 1.183650 -0.307107
C 1.015689 -2.078529 -0.115798
C -0.262420 -2.626246 -0.102757
C 2.898470 1.235343 -0.306988
C 4.716708 -0.291154 -0.125328
C -2.749107 -2.356623 -0.057415
C -3.733051 -0.112810 0.062163
C -3.877666 -1.531729 -0.009596
C 6.073083 -0.923479 -0.057539
H 0.218720 1.270777 0.081591
H 4.841416 1.807284 0.509010
H 4.835010 1.589569 -1.253006
H 1.905077 -2.710032 -0.163540
H -0.386867 -3.714214 -0.144989
H -2.859291 -3.447569 -0.109733
H -4.618579 0.528898 0.099054
H 5.981454 -2.011975 0.085880
H 6.664693 -0.504293 0.778181
H 6.646495 -0.734654 -0.984872
H -5.230713 -2.986311 -0.076608
H -0.849879 3.326519 -1.206162


