%chk=000068590.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000068590

0 1
 S    4.317200      4.6300001E-02  -1.001400    
 O    2.750800       2.435700      2.1299999E-02
 O    2.610400      -2.369500     -0.3194000    
 N   -3.917600     -0.9083000     -0.5116000    
 N   -3.802200       1.490100     -0.3075000    
 N   -2.375700      -2.282200      0.6540000    
 N   -5.431500      0.4725000      -1.654800    
 C   -1.071700      4.9000001E-03   1.801400    
 C   0.2505000      1.4500000E-02   1.111800    
 C   -2.256300      0.1049000      0.8614000    
 C   0.8344000      -1.185200      0.7050000    
 C   0.9043000       1.223700      0.8753000    
 C    2.142000       1.233200      0.2320000    
 C    2.072100      -1.175600      6.1799999E-02
 C    2.725900      3.3599999E-02 -0.1746000    
 C   -2.863200     -0.9931000      0.3259000    
 C   -2.751300       1.331700      0.5237000    
 C   -4.329400      0.3452000     -0.7816000    
 C    2.456800       3.103100      -1.203400    
 C    2.281800      -2.839400      -1.624500    
 C    5.452800     -8.6000003E-02  0.4055000    
 H   -1.153400     -0.8636000       2.465700    
 H   -1.115400      0.8486000       2.506200    
 H   0.3427000      -2.134500      0.8971000    
 H   0.4552000       2.162300       1.191500    
 H   -2.328200       2.254900      0.9043000    
 H   -2.024800      -2.450900       1.587300    
 H   -2.847800      -3.057900      0.2038000    
 H    1.421100       3.457500      -1.198100    
 H    2.620100       2.450100      -2.066300    
 H    3.120200       3.968000      -1.289700    
 H    2.486400      -2.082100      -2.387500    
 H    1.227100      -3.129500      -1.664100    
 H    2.893500      -3.721000      -1.835000    
 H    5.271600      -1.014000      0.9542000    
 H    5.322700      0.7644000       1.080100    
 H    6.482700     -8.9699998E-02  3.9600000E-02
 H   -5.777600       1.393100      -1.887300    
 H   -5.862000     -0.3585000      -2.036300    


%chk=000068590-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000068590

0 1
S 4.363450 0.239309 -0.920052
O 2.055046 2.376729 -0.646692
O 3.196479 -2.314726 0.452878
N -3.960218 -0.046071 -0.924192
N -4.421147 1.508868 0.914458
N -2.094231 -1.443798 -0.924694
N -5.850718 1.334964 -0.935701
C -1.228336 -0.456894 1.761012
C 0.119495 -0.299548 1.049358
C -2.434939 0.059772 0.997971
C 1.039288 -1.374405 1.008515
C 0.479819 0.923657 0.438415
C 1.743333 1.086496 -0.173122
C 2.297714 -1.222058 0.384444
C 2.682522 0.013787 -0.205067
C -2.829209 -0.467562 -0.281529
C -3.287024 1.051144 1.522641
C -4.705875 0.915871 -0.294528
C 2.164317 2.535716 -2.109324
C 3.354563 -3.076068 -0.805261
C 5.394386 0.039813 0.656482
H -1.368481 -1.527726 2.016433
H -1.181253 0.082455 2.728485
H 0.809940 -2.337205 1.479618
H -0.207245 1.776083 0.439826
H -3.056446 1.508095 2.494300
H -1.158225 -1.690182 -0.610444
H -2.426462 -1.759156 -1.834199
H 1.205268 2.273719 -2.597492
H 2.984804 1.920213 -2.521911
H 2.387638 3.601484 -2.268362
H 3.726280 -2.422977 -1.615806
H 2.391223 -3.540025 -1.094345
H 4.094650 -3.859973 -0.583208
H 5.167687 -0.938054 1.104195
H 5.162649 0.862544 1.348229
H 6.448057 0.090182 0.339709
H -6.424253 2.048071 -0.494650
H -6.100348 0.924752 -1.830591


