%chk=000124230.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000124230

0 1
 S   -3.486300     -9.6500002E-02  0.1817000    
 O    4.554600      -1.032600     -0.4052000    
 O  -0.9490000      0.7369000       1.880900    
 O    4.172000      0.2656000       1.441800    
 O   -4.864900      -2.751200     -0.5389000    
 N    2.454100     -0.4386000      2.8100001E-02
 N    1.431500      0.1685000      0.6439000    
 N  -0.3436000       3.882800     -0.9743000    
 C    2.346900      -1.127800      -1.209900    
 C   -2.039800      0.9057000     -0.2966000    
 C    3.717600      -1.751700      -1.332100    
 C   -2.396500       2.394700     -0.2632000    
 C  -0.9236000      0.5725000      0.6702000    
 C    3.750200     -0.3364000      0.4645000    
 C   -2.742400      -1.729900     -2.1199999E-02
 C   0.2985000     -5.3500000E-02  7.7299997E-02
 C   -3.730800      -2.835700      0.3141000    
 C   -1.248300       3.227200     -0.6613000    
 H    2.164600     -0.4101000      -2.016600    
 H    1.592600      -1.919900      -1.210900    
 H   -1.750200      0.6271000      -1.316200    
 H    3.719300      -2.807200      -1.039800    
 H    4.125000      -1.663500      -2.343400    
 H   -3.234600       2.599500     -0.9407000    
 H   -2.711300       2.696300      0.7441000    
 H   -2.422800      -1.831600      -1.063600    
 H   -1.873900      -1.845600      0.6320000    
 H   8.0799997E-02 -0.6603000     -0.8143000    
 H   -4.066500      -2.782900       1.355500    
 H   -3.266800      -3.814900      0.1602000    
 H   -5.264000      -1.874500     -0.4061000    


%chk=000124230-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000124230

0 1
S -3.258503 -0.333949 -0.567652
O 4.041173 -1.974161 -0.404181
O -0.872286 1.538493 1.554055
O 3.725775 -0.623003 1.480601
O -1.142970 -2.584804 -0.829837
N 2.099495 -0.776723 -0.283549
N 1.187747 0.021196 0.313024
N -2.296888 4.861280 -0.373970
C 1.987406 -1.457985 -1.598905
C -2.268533 1.324321 -0.428726
C 3.196908 -2.426561 -1.550890
C -3.171477 2.408955 0.205283
C -0.961247 1.120591 0.365122
C 3.328245 -1.069767 0.405041
C -2.616956 -1.449471 0.852444
C 0.085105 0.349230 -0.341976
C -2.112816 -2.782175 0.256140
C -2.686731 3.767087 -0.101754
H 2.062797 -0.724164 -2.423077
H 1.025229 -1.997624 -1.655221
H -2.049769 1.557621 -1.486129
H 2.889950 -3.464757 -1.345234
H 3.825952 -2.385124 -2.451654
H -4.205925 2.305034 -0.167101
H -3.179276 2.270876 1.302036
H -1.818886 -0.909500 1.384064
H -3.460373 -1.612806 1.542464
H -0.130161 0.047436 -1.379577
H -2.968940 -3.387906 -0.105696
H -1.581121 -3.355436 1.034176
H -1.580523 -1.943807 -1.459320


