%chk=000079279.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000079279

0 1
 S   0.9914000      -1.120200      0.2579000    
 O    1.392800      -1.090900       1.658500    
 O   0.9374000      -2.396900     -0.4418000    
 N    2.001200     -5.8300000E-02 -0.6219000    
 C  -0.5744000     -0.3627000      0.1061000    
 C    2.122900       1.347000     -0.2084000    
 C   -1.409400     -0.6947000     -0.9609000    
 C  -0.9904000      0.5747000       1.051600    
 C    3.505600       1.863200     -0.5515000    
 C   -2.660100     -8.9299999E-02  -1.082500    
 C   -2.241100       1.180100      0.9300000    
 C   -3.076000      0.8481000     -0.1371000    
 H    2.148600     -0.2474000      -1.621200    
 H    1.366200       1.940300     -0.7312000    
 H    1.965900       1.449600      0.8694000    
 H   -1.103600      -1.416400      -1.713200    
 H  -0.3563000      0.8507000       1.889200    
 H    4.279400       1.281800     -3.8899999E-02
 H    3.695200       1.794200      -1.627900    
 H    3.608500       2.910700     -0.2523000    
 H   -3.309500     -0.3463000      -1.914200    
 H   -2.564900       1.910700       1.665500    
 H   -4.049500       1.319900     -0.2320000    


%chk=000079279-Freq.chk
%nprocshared=8
%mem=31GB
#p freq=noraman PBEPBE/SDD

000079279

0 1
S 0.989189 -1.083343 0.307921
O 1.381979 -0.932262 1.876825
O 0.983310 -2.491126 -0.502481
N 2.203433 -0.039213 -0.587880
C -0.741746 -0.311674 0.101872
C 2.412070 1.332988 -0.068849
C -1.523247 -0.728408 -0.988793
C -1.168102 0.620601 1.062241
C 3.701887 1.901026 -0.691579
C -2.807064 -0.152387 -1.132105
C -2.454731 1.186389 0.899804
C -3.265833 0.804660 -0.195260
H 2.022713 -0.129138 -1.601281
H 1.554640 2.012493 -0.274230
H 2.530153 1.246817 1.025748
H -1.152750 -1.496520 -1.675989
H -0.530097 0.865579 1.917800
H 4.557729 1.247348 -0.455893
H 3.620171 1.985103 -1.791112
H 3.900441 2.910461 -0.287744
H -3.448088 -0.457691 -1.965737
H -2.823227 1.913199 1.631222
H -4.262927 1.242998 -0.311298


