%chk=000148905.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000148905

0 1
 S   -1.341100       2.003500      0.7089000    
 O   -1.290200       3.204800     -0.1074000    
 O   -1.516400       2.105200       2.148200    
 N  -3.3000000E-03   1.022000      0.3665000    
 C   0.4761000      3.8600001E-02   1.337200    
 C    1.289100       1.262000       1.007700    
 C   0.9423000      -1.290500      0.8043000    
 C    2.524200       1.089500      0.1635000    
 C    2.137200      -1.412400      3.7999999E-02
 C    2.948000     -0.1929000     -0.2901000    
 C   0.1787000      -2.443200       1.083500    
 C    3.284300       2.228800     -0.1742000    
 C   -2.653600      0.9963000      8.3800003E-02
 C    2.501800      -2.703300     -0.4011000    
 C    4.129800     -0.2551000      -1.059100    
 C   0.5655000      -3.700700      0.6332000    
 C    4.443300       2.132400     -0.9365000    
 C    1.728800      -3.830000     -0.1079000    
 C    4.866700      0.8891000      -1.376900    
 C   -3.264700      8.4500000E-02  0.9263000    
 C   -3.044100       1.139900      -1.235700    
 C   -4.300100     -0.7095000      0.4330000    
 C   -4.079600      0.3461000      -1.729000    
 C   -4.707500     -0.5787000     -0.8945000    
 C   -5.815300      -1.426600      -1.421600    
 H  -4.6200000E-02  4.7600001E-02   2.287600    
 H    1.272100       2.068400       1.734000    
 H  -0.7357000      -2.353900       1.666900    
 H    2.963100       3.210500      0.1690000    
 H    3.398700      -2.874300     -0.9890000    
 H    4.514800      -1.196700      -1.439100    
 H  -3.8800001E-02  -4.572900      0.8622000    
 H    5.011800       3.024000      -1.182200    
 H    2.040900      -4.807600     -0.4642000    
 H    5.771100      0.8019000      -1.972100    
 H   -2.956100     -3.7700001E-02   1.959900    
 H   -2.562300       1.848000      -1.902600    
 H   -4.779000      -1.429000       1.091800    
 H   -4.385900      0.4548000      -2.766100    
 H   -6.532700      -1.675200     -0.6322000    
 H   -6.372300     -0.9053000      -2.207600    
 H   -5.412400      -2.356500      -1.834900    


%chk=000148905-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000148905

0 1
S -1.560476 1.266926 1.388115
O -1.274549 2.867593 1.222217
O -1.833699 0.629274 2.870798
N -0.066238 0.288499 0.549330
C 0.882326 -0.215564 1.680776
C 1.263575 1.023217 0.908444
C 1.574374 -1.495486 1.379021
C 2.321045 0.927590 -0.130862
C 2.515643 -1.568929 0.302876
C 2.894796 -0.342013 -0.460114
C 1.282039 -2.637568 2.161061
C 2.745558 2.104596 -0.791049
C -2.965649 0.770846 0.251749
C 3.110355 -2.833070 0.036042
C 3.874725 -0.371929 -1.490574
C 1.886645 -3.879163 1.880653
C 3.721194 2.051138 -1.806393
C 2.799259 -3.972809 0.803893
C 4.279279 0.800195 -2.159747
C -3.720927 -0.361156 0.593215
C -3.221682 1.565911 -0.875994
C -4.790483 -0.714628 -0.258189
C -4.297334 1.189763 -1.709608
C -5.088386 0.045661 -1.420451
C -6.219625 -0.365053 -2.344945
H 0.469307 -0.095511 2.691275
H 1.121265 2.002799 1.382280
H 0.564510 -2.547791 2.984966
H 2.292503 3.062931 -0.511880
H 3.832693 -2.940485 -0.778248
H 4.341103 -1.318318 -1.778985
H 1.648470 -4.760851 2.484963
H 4.038387 2.965539 -2.318709
H 3.272847 -4.931946 0.567432
H 5.034149 0.739817 -2.951372
H -3.493895 -0.927623 1.501871
H -2.616800 2.455214 -1.078918
H -5.402052 -1.590824 -0.014492
H -4.524810 1.794360 -2.595001
H -7.006824 -0.917086 -1.803289
H -6.685277 0.509679 -2.831116
H -5.846339 -1.027847 -3.149539


