%chk=000055332.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055332

0 1
 S    3.045900      -1.559500       1.111800    
 O   0.3187000      7.7900000E-02  -1.085200    
 O   -1.402000       1.881400      -2.374100    
 O  -0.4742000      -2.344100     -0.4411000    
 O   0.8739000      -3.659400      0.8672000    
 N   -3.680200      0.7627000      0.3220000    
 C    2.684900       2.027200     -0.6499000    
 C    4.141000       2.508100     -0.5473000    
 C    2.525200      0.6283000     -0.1403000    
 C    4.758600       2.156100      0.8141000    
 C    4.783700      0.6382000       1.053800    
 C    3.480500      2.1000000E-02  0.6525000    
 C    1.409500     -0.2339000     -0.3618000    
 C    1.563200      -1.453500      0.2614000    
 C   -1.893400      0.9759000      -1.381700    
 C  -0.7706000      0.6878000     -0.3876000    
 C   -3.130600       1.602200     -0.7338000    
 C   -4.820800       1.406700      0.9588000    
 C   0.6797000      -2.574900      0.2819000    
 C   -5.688100      0.3499000       1.635600    
 C   -4.345100       2.451500       1.964300    
 C   -1.440200      -3.400300     -0.4929000    
 C   -2.619800      -2.949300      -1.327400    
 H    2.043000       2.689700     -5.6100000E-02
 H    2.351000       2.095300      -1.691500    
 H    4.180000       3.591400     -0.7079000    
 H    4.738300       2.043900      -1.342600    
 H    5.778400       2.552500      0.8768000    
 H    4.176600       2.643200       1.607100    
 H    5.586900      0.1908000      0.4554000    
 H    5.006100      0.4402000       2.108400    
 H   -2.169400      5.5500001E-02  -1.908500    
 H  -0.4176000       1.627900      5.4600000E-02
 H   -1.111500      2.7600000E-02  0.4168000    
 H   -3.880300       1.780800      -1.515700    
 H   -2.847400       2.591000     -0.3542000    
 H   -5.454200       1.897900      0.2085000    
 H   -3.966200     -0.1264000     -8.6599998E-02
 H   -5.130600     -0.1940000       2.406800    
 H   -6.061600     -0.3805000      0.9090000    
 H   -6.558000      0.8120000       2.115200    
 H   -5.198400       2.884400       2.498400    
 H   -3.815900       3.279600       1.483300    
 H   -3.676700       2.010900       2.713000    
 H  -0.6108000       1.477400      -2.769900    
 H  -0.9826000      -4.286300     -0.9461000    
 H   -1.772400      -3.640500      0.5229000    
 H   -3.098300      -2.076800     -0.8746000    
 H   -2.294400      -2.652600      -2.329800    
 H   -3.362200      -3.747300      -1.417200    


%chk=000055332-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055332

0 1
S 3.237652 -1.455046 1.228346
O 0.408955 0.660833 -0.721480
O -0.994107 3.123292 -0.964152
O -0.625570 -2.082178 0.243401
O 0.819037 -3.180689 1.713519
N -3.937455 0.946996 -0.267279
C 3.004449 1.989649 -1.018770
C 4.512986 2.234503 -1.275287
C 2.781714 0.698601 -0.257411
C 5.355313 1.964663 -0.005099
C 5.249115 0.478712 0.433679
C 3.810091 0.031020 0.391289
C 1.497950 0.047957 -0.104728
C 1.542053 -1.145545 0.638552
C -1.679366 1.829236 -0.819484
C -0.860543 0.868497 0.040004
C -3.052124 2.134170 -0.196761
C -5.229289 1.069269 0.470967
C 0.586768 -2.210282 0.941028
C -6.202038 -0.007856 -0.050327
C -5.003714 0.917110 1.991205
C -1.634564 -3.154047 0.510680
C -2.857741 -2.823155 -0.339940
H 2.581587 2.837045 -0.439160
H 2.451492 1.960034 -1.976560
H 4.667444 3.273082 -1.622450
H 4.861352 1.565779 -2.087545
H 6.416485 2.218202 -0.185352
H 4.997988 2.616110 0.816539
H 5.857337 -0.155347 -0.244072
H 5.672105 0.345560 1.447739
H -1.816032 1.363046 -1.821636
H -0.606675 1.328581 1.015331
H -1.378267 -0.090215 0.180753
H -3.464897 3.029030 -0.718402
H -2.911483 2.418172 0.861929
H -5.692758 2.071927 0.287844
H -4.113685 0.692458 -1.251183
H -5.771737 -1.015684 0.098088
H -6.410952 0.124862 -1.129575
H -7.164573 0.041993 0.488366
H -5.960536 1.020401 2.535355
H -4.311509 1.683215 2.384079
H -4.574762 -0.077623 2.209681
H -0.059804 2.925007 -1.234356
H -1.181251 -4.127138 0.249930
H -1.857581 -3.159288 1.593266
H -3.255420 -1.822584 -0.091399
H -2.603400 -2.839866 -1.414109
H -3.648439 -3.574866 -0.159253


