%chk=000055519.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000055519

0 1
 S    1.118400       3.440000      0.3998000    
 O  -0.8211000      -1.093500     -0.6056000    
 O   -1.020700       1.499900      0.5893000    
 O   -2.170100       2.242600      -1.278500    
 O    1.754400       1.916700      0.1670000    
 N  -0.2051000       3.325200     -0.6812000    
 C   -1.222600      -2.384700      -1.148500    
 C   -2.428300      -2.913200     -0.3364000    
 C   -2.834300      -1.672000      0.3604000    
 C   -1.868700     -0.6961000      0.1825000    
 C  -2.3000000E-02  -3.326600      -1.033400    
 C   -1.583600      -2.176800      -2.624800    
 C   -3.952700      -1.429800       1.137700    
 C   -1.974000      0.5517000      0.7666000    
 C   -4.085400     -0.1721000       1.731400    
 C   -3.101300      0.8127000       1.547500    
 C   -1.203800       2.358700     -0.5249000    
 C  -0.2331000       4.289200      -1.771500    
 C    3.387200      0.2519000      0.6398000    
 C    2.916100       1.644900      0.9382000    
 C    2.911000     -0.8130000       1.396400    
 C    4.296000      3.8400002E-02 -0.3905000    
 C    3.349300      -2.108000       1.119300    
 C    4.734300      -1.256500     -0.6678000    
 C    4.260900      -2.329700      8.7200001E-02
 H   -3.220900      -3.318600     -0.9724000    
 H   -2.132100      -3.669000      0.3991000    
 H  -0.2534000      -4.321600      -1.427400    
 H   0.8407000      -2.926700      -1.576700    
 H   0.2923000      -3.429200      1.1300000E-02
 H   -1.865000      -3.119300      -3.105500    
 H   -2.415500      -1.471400      -2.732100    
 H  -0.7395000      -1.743800      -3.173600    
 H   -4.707400      -2.193800       1.289900    
 H   -4.954800      4.5699999E-02   2.345700    
 H   -3.224300       1.782700       2.022600    
 H    3.709300       2.365800      0.6996000    
 H    2.693200       1.741400       2.009200    
 H   -1.110500       4.138400      -2.406300    
 H  -0.2697000       5.302000      -1.358100    
 H   0.6665000       4.169100      -2.383300    
 H    2.197500     -0.6522000       2.199900    
 H    4.669500      0.8666000     -0.9864000    
 H    2.978900      -2.943800       1.705600    
 H    5.443400      -1.429400      -1.472100    
 H    4.601200      -3.338100     -0.1293000    


%chk=000055519-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000055519

0 1
S 1.020682 3.480287 0.429643
O -0.965122 -0.899674 -0.071874
O -1.418439 1.912670 0.635162
O -1.978655 1.890346 -1.656236
O 2.336438 2.248504 0.099979
N -0.137632 3.123769 -0.872027
C -1.225937 -2.369996 -0.461344
C -2.458617 -2.792224 0.412540
C -3.044599 -1.467799 0.879630
C -2.121293 -0.445568 0.567838
C 0.060074 -3.134048 -0.136613
C -1.557431 -2.350942 -1.962775
C -4.238349 -1.157995 1.553980
C -2.381383 0.895135 0.903141
C -4.497412 0.191641 1.909592
C -3.573563 1.212751 1.583724
C -1.232337 2.264676 -0.724417
C 0.199874 3.606852 -2.232579
C 3.140529 -0.012198 0.151936
C 2.057542 0.888083 0.694344
C 3.013388 -0.575211 -1.144948
C 4.300760 -0.299056 0.914174
C 4.025119 -1.409006 -1.668527
C 5.313259 -1.137673 0.395546
C 5.177442 -1.694249 -0.897442
H -3.173849 -3.389217 -0.180751
H -2.137267 -3.409549 1.273361
H -0.054878 -4.200407 -0.404712
H 0.915726 -2.723892 -0.699997
H 0.293691 -3.067185 0.940034
H -1.736252 -3.378655 -2.329972
H -2.459686 -1.744473 -2.155080
H -0.721886 -1.913612 -2.535597
H -4.959393 -1.943443 1.805277
H -5.421949 0.451274 2.434884
H -3.767128 2.257699 1.845170
H 2.094979 0.965995 1.796859
H 1.053523 0.549180 0.382136
H -0.622329 3.339603 -2.913771
H 0.329578 4.701299 -2.213635
H 1.134827 3.134419 -2.580860
H 2.120244 -0.349641 -1.740398
H 4.410514 0.139445 1.913418
H 3.919049 -1.835450 -2.672509
H 6.204675 -1.354428 0.994801
H 5.962674 -2.343336 -1.301406


