%chk=000046077.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000046077

0 1
 S   -1.707000      -1.744500      5.4000001E-03
 O   -1.493200      -2.844700     -0.9200000    
 O   -1.715500      -1.980900       1.440000    
 O   -4.774300      0.7239000     -0.3554000    
 O   -3.002000      0.8783000       1.097100    
 N   -3.136000     -0.9060000     -0.4116000    
 C    2.002200      0.1131000     -0.2789000    
 C    3.410600     -0.3671000      7.6800004E-02
 C   0.9172000     -0.9450000     -5.0999999E-02
 C    4.458800      0.6969000     -0.2575000    
 C  -0.5100000     -0.4943000     -0.3316000    
 C    5.864900      0.2338000      0.1274000    
 C    6.906800       1.310300     -0.1759000    
 C    8.310200      0.8417000      0.1742000    
 C   -3.596900      0.3027000      0.1940000    
 C   -5.320600       1.929400      0.1910000    
 C   -6.615200       2.252500     -0.5241000    
 H    1.764500       1.003300      0.3166000    
 H    1.975900      0.4209000      -1.331600    
 H    3.453900     -0.6111000       1.145100    
 H    3.634900      -1.287900     -0.4752000    
 H    1.144600      -1.821400     -0.6712000    
 H   0.9819000      -1.289700      0.9891000    
 H    4.220300       1.625300      0.2757000    
 H    4.426100      0.9224000      -1.330400    
 H  -0.7321000      0.3769000      0.2885000    
 H  -0.6130000     -0.2145000      -1.385100    
 H    6.111200     -0.6833000     -0.4216000    
 H    5.892900     -1.1900000E-02   1.195900    
 H    6.871900       1.573500      -1.239500    
 H    6.678400       2.220100      0.3913000    
 H    8.388500      0.5989000       1.238700    
 H    8.582000     -4.8300002E-02 -0.4024000    
 H    9.038900       1.627000     -4.9600001E-02
 H   -3.644500      -1.236300      -1.241900    
 H   -5.513300       1.790700       1.260700    
 H   -4.606800       2.749000      5.2700002E-02
 H   -6.441600       2.375900      -1.598200    
 H   -7.333100       1.433500     -0.4104000    
 H   -7.060900       3.170300     -0.1306000    


%chk=000046077-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000046077

0 1
S -1.749491 -1.708595 -0.130865
O -1.740351 -2.935019 -1.192418
O -1.749264 -2.015441 1.457017
O -5.001954 0.694129 -0.306117
O -2.874170 1.213704 0.564091
N -3.295750 -0.771077 -0.630947
C 2.074660 0.148418 -0.388417
C 3.477210 -0.334424 0.048054
C 0.978568 -0.909423 -0.088935
C 4.585558 0.704578 -0.234874
C -0.382786 -0.394070 -0.547366
C 5.991329 0.222285 0.189174
C 7.102324 1.260393 -0.090042
C 8.503784 0.769884 0.333383
C -3.651374 0.441224 -0.054685
C -5.502828 2.025713 0.164912
C -6.983702 2.081226 -0.192162
H 1.830369 1.094993 0.134660
H 2.087409 0.377094 -1.473634
H 3.463003 -0.571494 1.131671
H 3.718940 -1.281562 -0.476804
H 1.228489 -1.854713 -0.607671
H 0.954124 -1.118385 0.997151
H 4.347478 1.650267 0.295378
H 4.594082 0.947930 -1.317999
H -0.749819 0.495475 -0.009026
H -0.491276 -0.287988 -1.639044
H 6.232349 -0.721985 -0.342467
H 5.985248 -0.023572 1.271642
H 7.106811 1.507020 -1.171533
H 6.862159 2.203233 0.442677
H 8.534849 0.545370 1.416322
H 8.780181 -0.154611 -0.207970
H 9.279661 1.528895 0.123400
H -4.006907 -1.362447 -1.076610
H -5.323138 2.095148 1.252277
H -4.914678 2.814704 -0.337662
H -7.132260 1.987741 -1.281369
H -7.540463 1.270843 0.308044
H -7.407773 3.047938 0.135260


