%chk=000053391.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000053391

0 1
 S    2.153700      -3.217500     -0.8288000    
 S   -4.301200      -1.169800     -0.9744000    
 O    2.460400       1.108500     -0.6840000    
 N    1.772900      -1.092100      0.9124000    
 N   -2.833500      0.3656000      0.8104000    
 C    1.164300      0.9144000     -0.3109000    
 C   0.8060000     -0.1750000      0.4831000    
 C   0.1911000       1.820700     -0.7317000    
 C  -0.5255000     -0.3582000      0.8562000    
 C   -1.498700      0.5482000      0.4354000    
 C   -1.140400       1.637700     -0.3585000    
 C    3.272900       1.897300      0.1828000    
 C    1.926000      -1.990900      0.1638000    
 C   -3.448000     -0.2891000      4.4199999E-02
 H   0.4628000       2.671600      -1.350600    
 H  -0.8049000      -1.205100       1.479500    
 H   -1.889700       2.351800     -0.6904000    
 H    3.334600       1.442400       1.176400    
 H    2.875500       2.914400      0.2595000    
 H    4.279200       1.946400     -0.2419000    


%chk=000053391-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000053391

0 1
S 3.775366 -3.036640 0.655240
S -5.645669 -0.574885 0.574236
O 2.431715 1.535684 -0.779946
N 1.751250 -1.092669 0.251019
N -2.928055 0.113470 0.143729
C 1.118522 1.151410 -0.480259
C 0.775965 -0.150902 0.015002
C 0.083009 2.063040 -0.784965
C -0.585079 -0.486383 0.230265
C -1.607149 0.449615 -0.065447
C -1.268381 1.730202 -0.587723
C 3.402941 1.606238 0.337181
C 2.610437 -1.924902 0.417563
C -4.084803 -0.180914 0.326866
H 0.368625 3.040795 -1.183579
H -0.841343 -1.479190 0.609679
H -2.062577 2.443894 -0.823516
H 3.572516 0.620847 0.803812
H 3.054668 2.330435 1.097174
H 4.335542 1.962155 -0.123831


