%chk=000051567.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000051567

0 1
 S    2.486900       1.419300     -0.5157000    
 O    3.909300       1.765500     -0.5250000    
 O    1.657700       1.676400      -1.692500    
 O   -4.630500      -1.630300      0.3106000    
 N    2.420700     -0.2284000     -0.2811000    
 N    3.096600      -2.330000     -2.3600001E-02
 N    4.743700     -0.6151000     -0.3501000    
 N   -3.366700      -2.226500      0.3188000    
 C    1.760500       2.319400      0.8522000    
 C    1.275000     -0.9638000     -0.1168000    
 C    1.723300      -2.272100      4.2100001E-02
 C    3.481400      -1.088500     -0.2177000    
 C    1.840900       3.817600      0.5994000    
 C    2.444800       1.938200       2.156700    
 C  -7.4000001E-02 -0.6077000     -9.3999997E-02
 C  -0.9949000      -1.642500      0.1000000    
 C   0.7843000      -3.299100      0.2361000    
 C  -0.5756000      -2.965000      0.2624000    
 C   -2.416300      -1.332800      0.1343000    
 C   -2.862600      9.9699996E-02 -4.1900001E-02
 C   -3.117200      0.5399000      -1.311400    
 C   -2.987200      0.8747000       1.077900    
 C   -3.529500       1.862500      -1.474300    
 C   -3.399700       2.197300      0.9149000    
 C   -3.670800       2.691100     -0.3613000    
 H   0.7061000       2.034400      0.9017000    
 H    1.366400       4.374800       1.413900    
 H    2.879200       4.156600      0.5180000    
 H    1.331200       4.087600     -0.3314000    
 H    1.990500       2.469000       3.000100    
 H    3.511800       2.184200       2.141200    
 H    2.354500      0.8656000       2.355100    
 H  -0.3635000      0.4237000     -0.2380000    
 H    1.100400      -4.329500      0.3632000    
 H   -1.293300      -3.768200      0.4133000    
 H    5.539200      -1.244100     -0.3017000    
 H    4.979600      0.3563000     -0.5106000    
 H   -3.007800     -0.1038000      -2.178100    
 H   -2.776200      0.4918000       2.071100    
 H   -3.740400       2.247100      -2.467900    
 H   -3.509100       2.842700       1.781500    
 H   -3.991500       3.720900     -0.4882000    
 H   -5.209200      -2.397900      0.4547000    


%chk=000051567-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000051567

0 1
S 2.470668 1.705285 -0.496400
O 4.019655 2.022753 -0.905280
O 1.263604 2.226045 -1.440706
O -4.646420 -1.755942 1.223902
N 2.406470 -0.154467 -0.334079
N 3.024493 -2.358950 -0.339095
N 4.759054 -0.708244 -0.697352
N -3.227238 -2.103626 1.096026
C 2.145005 2.284381 1.403054
C 1.202622 -0.891308 -0.133980
C 1.629271 -2.258230 -0.121384
C 3.466746 -1.097445 -0.478709
C 1.831702 3.776057 1.329946
C 3.380120 1.872781 2.192750
C -0.133051 -0.500235 0.027082
C -1.095099 -1.531615 0.229011
C 0.669353 -3.274296 0.079389
C -0.676143 -2.900322 0.252668
C -2.532943 -1.182625 0.433051
C -3.074450 0.109230 -0.096018
C -2.740217 0.527184 -1.413633
C -3.916275 0.941323 0.691250
C -3.232953 1.744555 -1.930688
C -4.396238 2.164540 0.177803
C -4.059686 2.570586 -1.135041
H 1.256663 1.669228 1.630473
H 1.537209 4.118252 2.340263
H 2.713371 4.360595 1.014579
H 0.996001 3.985482 0.641082
H 3.223676 2.155371 3.251338
H 4.281361 2.394439 1.827582
H 3.554674 0.784012 2.159002
H -0.445282 0.546877 -0.024783
H 0.974189 -4.324921 0.086557
H -1.441905 -3.666070 0.403067
H 5.456881 -1.438094 -0.811831
H 4.963507 0.276224 -0.896057
H -2.097800 -0.106159 -2.034628
H -4.194257 0.623198 1.699390
H -2.965780 2.048575 -2.948502
H -5.039957 2.797738 0.798796
H -4.438194 3.518776 -1.533377
H -5.004409 -2.559940 1.681382


