%chk=000162260.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000162260

0 1
 S    3.221000      -1.196800     -0.5323000    
 O    3.006800       1.804300      2.4800001E-02
 O   -3.443500      0.9676000      0.2612000    
 N   -1.904300     -0.7714000     -0.1450000    
 C  -0.6646000     -0.1324000     -0.1047000    
 C    1.744100     -0.2251000     -0.2668000    
 C   0.5052000     -0.8645000     -0.3080000    
 C  -0.5954000       1.239100      0.1399000    
 C    1.813300       1.146400     -2.2299999E-02
 C   0.6436000       1.878500      0.1812000    
 C   -3.174400     -0.2076000      3.4699999E-02
 C   -4.266800      -1.240500     -8.6000003E-02
 C    3.114700      -2.397600      0.8234000    
 H   0.4384000      -1.932300     -0.5066000    
 H   -1.455700       1.871900      0.3068000    
 H   0.6824000       2.947800      0.3728000    
 H   -1.871400      -1.772200     -0.3281000    
 H   -4.253600      -1.676300      -1.088900    
 H   -5.240100     -0.7726000      8.5699998E-02
 H   -4.116500      -2.028400      0.6574000    
 H    2.262700      -3.067700      0.6841000    
 H    3.019300      -1.881500       1.782700    
 H    4.027600      -2.998900      0.8403000    
 H    2.846700       2.746400      0.2055000    


%chk=000162260-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000162260

0 1
S 2.872051 -1.857037 -0.609591
O 3.107175 1.111001 0.216003
O -3.558076 1.085103 0.219873
N -2.215289 -0.781510 -0.256761
C -0.902563 -0.241118 -0.111784
C 1.527064 -0.677118 -0.204897
C 0.192947 -1.121691 -0.314329
C -0.652150 1.112888 0.230600
C 1.769544 0.682754 0.125787
C 0.680310 1.555555 0.351501
C -3.442472 -0.136803 -0.096860
C -4.663573 -1.023059 -0.337439
C 3.924331 -1.783948 0.960033
H 0.018208 -2.176705 -0.559011
H -1.491296 1.789410 0.398004
H 0.871211 2.604213 0.615964
H -2.253604 -1.770035 -0.513730
H -5.262731 -0.591473 -1.157792
H -5.295723 -1.014150 0.567101
H -4.418509 -2.069672 -0.589709
H 3.335714 -2.129794 1.822983
H 4.277298 -0.754324 1.106090
H 4.772129 -2.463888 0.780828
H 3.147503 2.087603 0.368936


