%chk=000004729.chk
%nprocshared=12
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000004729

-1 1
 S    2.202700      0.3515000       1.918500    
 O    2.182500       1.883300      -2.186100    
 O    2.605500      -2.530300      0.3426000    
 O    4.081800      -2.457000      -1.403700    
 O   -1.784400       1.576200       1.388200    
 N    2.034800      7.3399998E-02 -0.6810000    
 N  -0.7288000       1.501100     -0.6771000    
 C    1.117600      0.2064000      0.4497000    
 C    3.776700      0.1178000      0.9517000    
 C    3.366200     -0.4412000     -0.4330000    
 C   0.6482000       1.530800     -0.1758000    
 C    1.709700       1.263000      -1.261100    
 C    4.441200       1.498500      0.8142000    
 C    4.711000     -0.8019000       1.746200    
 C    3.348300      -1.959900     -0.5037000    
 C   -1.844200       1.526900      0.1623000    
 C   -3.145200       1.484400     -0.6152000    
 C   -4.001300      0.2918000     -0.2804000    
 C   -3.846800     -0.8840000      -1.001400    
 C   -4.932300      0.3850000      0.7446000    
 C   -4.639600      -1.988900     -0.6913000    
 C   -5.725000     -0.7200000       1.054800    
 C   -5.578500      -1.907000      0.3368000    
 H   0.3836000     -0.6039000      0.4955000    
 H    4.036600     -5.1800001E-02  -1.210100    
 H   0.8520000       2.441100      0.3989000    
 H    5.372400       1.419400      0.2406000    
 H    3.804300       2.224300      0.2982000    
 H    4.699600       1.922600       1.791900    
 H    5.054100     -0.3168000       2.668500    
 H    4.245500      -1.745700       2.045800    
 H    5.605900      -1.041000       1.159900    
 H  -0.8871000       1.459400      -1.681000    
 H   -3.687700       2.412300     -0.3918000    
 H   -2.965900       1.511500      -1.696900    
 H   -3.116500     -0.9582000      -1.802200    
 H   -5.053100       1.304100       1.311100    
 H   -4.525100      -2.913300      -1.249800    
 H   -6.455900     -0.6566000       1.855700    
 H   -6.195500      -2.767500      0.5786000    


%chk=000004729-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000004729

-1 1
S 2.324841 -0.187787 1.939143
O 1.888159 2.620738 -1.659377
O 3.008643 -2.205828 -1.124611
O 5.264177 -1.630298 -1.446185
O -2.130599 2.125250 0.696106
N 2.401694 0.457499 -0.653279
N -0.789757 0.832463 -0.711967
C 1.407508 -0.125058 0.264890
C 4.067410 0.118051 1.067992
C 3.789010 0.035659 -0.496672
C 0.471955 1.102421 -0.041290
C 1.668628 1.611557 -0.949234
C 4.530954 1.540316 1.455346
C 5.049376 -0.956466 1.562958
C 4.037658 -1.417255 -1.094338
C -1.999282 1.370777 -0.317580
C -3.202172 0.996414 -1.208500
C -4.237529 0.138477 -0.484832
C -4.620412 -1.122579 -1.007170
C -4.838645 0.591468 0.719476
C -5.587931 -1.916084 -0.347492
C -5.802546 -0.201593 1.379685
C -6.184665 -1.456539 0.848505
H 1.079094 -1.137550 -0.004464
H 4.462944 0.743103 -1.010244
H 0.275923 1.752832 0.824688
H 5.550230 1.719597 1.058118
H 3.853533 2.308068 1.040785
H 4.558913 1.664585 2.553292
H 5.250076 -0.831438 2.644054
H 4.643647 -1.964462 1.382578
H 5.996292 -0.878025 0.997924
H -0.758376 0.239226 -1.543669
H -3.663085 1.956587 -1.510511
H -2.870984 0.487691 -2.132201
H -4.156118 -1.488677 -1.931645
H -4.517678 1.550628 1.139949
H -5.868442 -2.890735 -0.763852
H -6.252670 0.157673 2.312704
H -6.932474 -2.070906 1.363619


