%chk=000032087.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000032087

0 1
 S   0.8676000      -1.378200     -0.9413000    
 O   0.9188000     -0.8852000      -2.305900    
 O   0.6987000      -2.797500     -0.6777000    
 O   0.9658000      0.2644000       2.440300    
 N   -5.406100     -0.4634000      0.4713000    
 C  -0.4682000     -0.5528000     -0.1003000    
 C   -1.813700      -1.125300     -0.5658000    
 C  -0.2901000      0.9359000     -0.3016000    
 C    2.433500     -0.9628000     -0.2173000    
 C   0.7117000       1.631800      0.4047000    
 C    1.641800      0.9403000       1.381000    
 C   -2.969800     -0.5000000      0.2055000    
 C    2.664400      1.9500000E-02  0.7554000    
 C   -4.307200      -1.051500     -0.2855000    
 C   -1.085300       1.656100      -1.214300    
 C   0.8851000       3.012700      0.1830000    
 C    3.497700      -1.743200     -0.7102000    
 C    3.991400      0.1636000       1.224700    
 C  -0.9053000       3.025000      -1.417400    
 C   8.0700003E-02   3.704600     -0.7180000    
 C    4.794300      -1.568600     -0.2367000    
 C    5.042100     -0.6147000      0.7371000    
 C   -5.255300     -0.7429000       1.900400    
 C   -6.692700     -0.9680000     -1.1500000E-02
 H  -0.3842000     -0.8253000      0.9536000    
 H   -1.950300     -0.9987000      -1.646700    
 H   -1.827700      -2.209800     -0.3953000    
 H    2.186700       1.740800       1.898400    
 H   -2.801600     -0.7470000       1.259600    
 H   -2.991200      0.5906000      0.1369000    
 H   -4.419500     -0.8017000      -1.348200    
 H   -4.312500      -2.146700     -0.2066000    
 H   -1.846500       1.168900      -1.816300    
 H    1.659100       3.562400      0.7141000    
 H    3.326500      -2.500900      -1.472100    
 H    4.222800      0.9025000       1.990500    
 H   -1.530200       3.554300      -2.130800    
 H   0.2291000       4.768500     -0.8761000    
 H    5.604300      -2.178300     -0.6250000    
 H    6.048100     -0.4715000       1.119300    
 H   0.1483000      0.7519000       2.639400    
 H   -5.074400      -1.804400       2.105000    
 H   -6.163900     -0.4530000       2.442900    
 H   -4.459900     -0.1428000       2.353000    
 H   -6.788300      -2.051700      0.1217000    
 H   -6.821500     -0.7382000      -1.075200    
 H   -7.520600     -0.4804000      0.5152000    


%chk=000032087-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000032087

0 1
S 0.924469 -1.123209 -1.334412
O 1.165403 -0.278623 -2.712803
O 0.607194 -2.728671 -1.455256
O 0.955722 0.539968 2.285202
N -5.470007 -0.786541 0.732209
C -0.532450 -0.230561 -0.232255
C -1.843560 -0.885304 -0.653912
C -0.292093 1.231072 -0.452519
C 2.486943 -0.968372 -0.233713
C 0.832466 1.863327 0.165954
C 1.745445 1.158290 1.172569
C -2.999274 -0.499625 0.305312
C 2.709668 0.060965 0.713106
C -4.312997 -1.205580 -0.093596
C -1.100690 1.984285 -1.337684
C 1.094670 3.225094 -0.106392
C 3.420951 -1.988372 -0.497223
C 3.964091 0.025028 1.383437
C -0.826929 3.342752 -1.603606
C 0.278799 3.967813 -0.989317
C 4.654601 -1.990388 0.186343
C 4.926725 -0.971879 1.126734
C -5.400098 -1.274384 2.124814
C -6.759086 -1.137282 0.099622
H -0.207405 -0.559099 0.769409
H -2.106796 -0.620505 -1.696202
H -1.701642 -1.983827 -0.638726
H 2.384607 1.947985 1.617669
H -2.713249 -0.773394 1.339589
H -3.175240 0.592276 0.294396
H -4.544249 -0.945788 -1.145232
H -4.159292 -2.317302 -0.063302
H -1.949790 1.504091 -1.832768
H 1.953474 3.711785 0.372933
H 3.164670 -2.777232 -1.212335
H 4.173179 0.795908 2.134662
H -1.466044 3.905197 -2.292412
H 0.506182 5.019386 -1.193580
H 5.388061 -2.778459 -0.012244
H 5.879836 -0.958678 1.665519
H 0.360189 1.242135 2.658150
H -5.401227 -2.392719 2.197813
H -6.268834 -0.894146 2.691247
H -4.488619 -0.900472 2.620866
H -6.920072 -2.240883 -0.004918
H -6.814328 -0.687430 -0.907714
H -7.590875 -0.729332 0.701764


