%chk=000048964.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000048964

0 1
 S    3.968100       2.353700       1.071900    
 O  -0.2891000     -0.4391000     -0.1244000    
 O   0.3136000      -2.656500      1.3500000E-02
 N   -3.926800      0.1534000     -0.1714000    
 C   -2.499700      0.4731000     -0.1769000    
 C   -4.282800     -0.5749000       1.045700    
 C   -4.724300       1.373600     -0.2887000    
 C   -1.665100     -0.7953000     -9.9100001E-02
 C   -5.750000     -0.9691000       1.040400    
 C   -4.367500       2.143700      -1.548800    
 C   0.5972000      -1.471000     -6.1600000E-02
 C    1.993800     -0.9681000     -9.4700001E-02
 C    2.267700      0.2777000      0.4317000    
 C    2.975000      -1.763200     -0.6511000    
 C    3.580300      0.7490000      0.4004000    
 C    4.287300      -1.291900     -0.6823000    
 C    4.590000     -3.5900000E-02 -0.1565000    
 C    2.932500       3.440800      5.1899999E-02
 H   -2.196100      0.9748000      -1.102300    
 H   -2.227600       1.149300      0.6448000    
 H   -3.751300      -1.527900       1.109600    
 H   -4.052900     -1.9000000E-03   1.952600    
 H   -5.788000       1.131200     -0.3816000    
 H   -4.608000       2.025700      0.5861000    
 H   -1.887800      -1.456100     -0.9457000    
 H   -1.819700      -1.337000      0.8376000    
 H   -6.412000     -0.1205000       1.238300    
 H   -6.042400      -1.436000      9.3500003E-02
 H   -5.937000      -1.700400       1.835300    
 H   -5.132200       2.905300      -1.740100    
 H   -4.331900       1.492300      -2.429000    
 H   -3.416500       2.677700      -1.459200    
 H    1.487100      0.8821000      0.8859000    
 H    2.751100      -2.741200      -1.066600    
 H    5.073300      -1.902600      -1.116900    
 H    5.618700      0.3146000     -0.1903000    
 H    1.872100       3.252300      0.2378000    
 H    3.148900       4.481900      0.3054000    
 H    3.149200       3.286900      -1.008700    


%chk=000048964-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000048964

0 1
S 4.386928 2.433747 0.519669
O -0.239141 -0.283806 -0.258344
O 0.251910 -2.487111 -0.834034
N -3.913569 0.369260 0.066407
C -2.456721 0.647118 0.055545
C -4.379875 -0.206594 1.357685
C -4.740946 1.509833 -0.407383
C -1.691089 -0.612450 -0.366902
C -5.640742 -1.079091 1.209405
C -4.674048 1.703805 -1.934073
C 0.645036 -1.334197 -0.526679
C 2.073880 -0.918548 -0.402705
C 2.432773 0.406535 -0.042833
C 3.072271 -1.891088 -0.655730
C 3.795179 0.759083 0.064060
C 4.432220 -1.530572 -0.547088
C 4.797749 -0.215391 -0.189765
C 2.783783 3.379951 0.750180
H -2.239681 1.452021 -0.668524
H -2.081022 0.995340 1.046801
H -3.563880 -0.835744 1.760169
H -4.560304 0.595897 2.117576
H -5.789053 1.301678 -0.126265
H -4.458620 2.462460 0.109167
H -1.924089 -0.895587 -1.407655
H -1.910070 -1.477924 0.283927
H -6.503735 -0.499579 0.834448
H -5.450631 -1.902908 0.499826
H -5.928027 -1.510281 2.186568
H -5.318177 2.547340 -2.245562
H -5.014637 0.787986 -2.447427
H -3.646795 1.924190 -2.277937
H 1.633016 1.126566 0.143526
H 2.765822 -2.904776 -0.931237
H 5.214299 -2.272278 -0.740635
H 5.856623 0.055662 -0.108271
H 2.186566 2.943389 1.565827
H 3.086802 4.402690 1.022368
H 2.207195 3.403876 -0.187604


