%chk=000100468.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000100468

0 1
 S    6.659000       1.742700     -0.2084000    
 S   -1.147500      -3.206800      0.1126000    
 S   -2.683900      0.8402000     -2.5699999E-02
 O   -6.393200       1.907500     -0.1093000    
 O   -4.522100       3.063700     -0.1141000    
 N    3.808300      0.3314000      8.1100002E-02
 N    2.486600      4.6300001E-02  6.6200003E-02
 N  -0.1600000     -0.8185000      5.6299999E-02
 N   -5.131600       1.958000     -9.2000000E-02
 C    4.454600      0.4231000      -1.234400    
 C    4.177500       1.438300      0.9709000    
 C    5.978300      0.3672000      -1.170500    
 C    5.668800       1.495000       1.287900    
 C    2.248900      -1.223800      0.1027000    
 C   0.8792000      -1.713100      9.7199999E-02
 C   -1.285700      -1.497100      6.0500000E-02
 C   -2.555100     -0.8672000      2.4700001E-02
 C   0.5596000      -3.043600      0.1317000    
 C   -3.791000      -1.477400      2.5400000E-02
 C   -4.394500      0.7658000     -4.6700001E-02
 C   -4.856000     -0.5318000     -1.6000001E-02
 H    4.123200       1.330500      -1.757000    
 H    4.128100     -0.4213000      -1.855400    
 H    3.649500       1.313200       1.925400    
 H    3.833300       2.394300      0.5541000    
 H    6.314600     -0.5770000     -0.7280000    
 H    6.392900      0.4188000      -2.182400    
 H    5.870200       2.324400       1.973600    
 H    5.997100      0.5748000       1.783600    
 H    3.054400      -1.981600      0.1428000    
 H    1.210200      -3.906300      0.1663000    
 H   -3.959500      -2.546600      5.3500000E-02
 H   -5.904300     -0.8035000     -2.2800000E-02


%chk=000100468-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000100468

0 1
S 6.785147 1.748663 0.188104
S -1.291664 -3.238229 -0.915825
S -2.597952 0.882705 0.528720
O -6.428247 1.836279 1.174819
O -4.468481 3.022344 1.386427
N 3.874296 0.367055 -0.134125
N 2.587032 -0.082513 -0.235918
N -0.167126 -0.893303 -0.253682
N -5.138107 1.946692 1.096916
C 5.063106 -0.391698 -0.598181
C 3.962833 1.845690 -0.081966
C 6.315414 -0.079034 0.240069
C 5.100576 2.343042 0.817916
C 2.282618 -1.319606 -0.598370
C 0.886213 -1.745496 -0.617052
C -1.356011 -1.472190 -0.339815
C -2.612460 -0.840003 -0.027705
C 0.478334 -3.034147 -0.997330
C -3.912350 -1.367062 -0.084002
C -4.393443 0.797471 0.658978
C -4.922924 -0.441937 0.304266
H 5.260381 -0.179040 -1.671505
H 4.851343 -1.471559 -0.497425
H 2.986172 2.190993 0.296750
H 4.101795 2.253766 -1.106362
H 6.158080 -0.364973 1.293984
H 7.185935 -0.625551 -0.158418
H 5.146452 3.443984 0.808270
H 4.976195 1.990274 1.855668
H 3.011258 -2.091379 -0.896539
H 1.102698 -3.866353 -1.316869
H -4.124237 -2.392806 -0.396486
H -5.992977 -0.652479 0.330489


