%chk=000168167.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000168167

0 1
 S    1.127300       2.668000      0.1219000    
 O   0.9620000       3.896000      0.8906000    
 O    1.618800       2.757500      -1.247800    
 O    1.193700      -2.894400       1.912700    
 O    3.386000      -1.644800      -2.100100    
 O   -3.981000      -1.504600      -1.845200    
 N    2.133700       1.601700       1.026800    
 N   -4.086900     -0.1586000      8.7499999E-02
 N    1.655200     -0.6627000       1.483300    
 N    2.769500     -2.7300000E-02 -0.5568000    
 C  -0.4076000       1.836000      0.1116000    
 C  -0.7062000      0.9358000     -0.9112000    
 C   -1.335400       2.071900       1.126200    
 C   -2.860400      0.5065000      9.5399998E-02
 C   -1.932600      0.2711000     -0.9193000    
 C   -2.561800       1.407300       1.117900    
 C    2.189600      0.2214000      0.6272000    
 C    1.724700      -1.947600       1.077300    
 C    2.804700      -1.331600     -0.9001000    
 C    2.293400      -2.345000     -0.1154000    
 C   -4.560400      -1.089300     -0.8469000    
 C   -5.943000      -1.579300     -0.4967000    
 C   0.6207000      -2.427400       3.128500    
 C    3.895900     -0.5606000      -2.867400    
 H   2.0999999E-03  0.7364000      -1.710700    
 H   -1.121600       2.762700       1.936800    
 H    2.084700       1.720600       2.047100    
 H   -2.091400     -0.4111000      -1.742700    
 H   -3.274700       1.599200       1.915900    
 H   -4.708400      6.7599997E-02  0.8613000    
 H    2.335200      -3.384300     -0.4163000    
 H   -6.635500     -0.7342000     -0.4486000    
 H   -5.920100      -2.089000      0.4706000    
 H   -6.292300      -2.280200      -1.259900    
 H    1.372800      -1.933100       3.752500    
 H   0.2435000      -3.294800       3.678000    
 H  -0.2241000      -1.758400       2.932500    
 H    4.694700     -3.9900001E-02  -2.328700    
 H    3.096000      0.1341000      -3.145100    
 H    4.321500     -0.9705000      -3.788200    


%chk=000168167-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000168167

0 1
S 0.797648 2.244877 0.853867
O 0.545716 3.376409 1.996667
O 1.768047 2.519422 -0.413020
O 4.268200 -2.761575 2.795530
O 2.230202 -2.333144 -1.491314
O -4.223432 -0.434062 -3.274261
N 1.412650 0.853449 1.917130
N -4.646961 0.436292 -1.134070
N 2.873163 -0.903457 2.347865
N 1.780416 -0.707895 0.173548
C -0.862185 1.643698 0.231508
C -0.939948 1.095263 -1.055774
C -1.976795 1.818735 1.067938
C -3.348807 0.830319 -0.717072
C -2.197094 0.683680 -1.541050
C -3.228910 1.403254 0.581811
C 2.052960 -0.290928 1.442175
C 3.448197 -2.067445 1.931362
C 2.413563 -1.853832 -0.212028
C 3.262567 -2.599465 0.636241
C -5.034375 -0.157226 -2.344935
C -6.527796 -0.446930 -2.460407
C 4.476865 -2.181990 4.140604
C 1.373405 -1.543509 -2.400959
H -0.037323 1.006750 -1.665910
H -1.869464 2.282570 2.053001
H 1.719527 1.215094 2.829927
H -2.306177 0.255815 -2.538678
H -4.118431 1.528012 1.211302
H -5.395601 0.607180 -0.459044
H 3.750674 -3.515182 0.307050
H -7.112421 -0.167480 -1.566936
H -6.668871 -1.523767 -2.655446
H -6.930714 0.096349 -3.332457
H 4.940347 -1.184097 4.064841
H 5.149159 -2.894621 4.639496
H 3.518064 -2.095633 4.678813
H 1.762084 -0.515486 -2.500362
H 0.337101 -1.513505 -2.023905
H 1.427051 -2.080839 -3.358547


