%chk=000161382.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161382

0 1
 S    1.830800     -0.7675000     -0.7927000    
 O   -3.355900      -1.469000      0.1595000    
 O  -0.6372000       1.871100      -1.306100    
 O    5.465200      0.1184000      0.1597000    
 O    4.558000     -0.5844000      -1.716600    
 N    4.454900     -0.2457000     -0.5045000    
 N  -0.9809000       2.326000      0.9056000    
 C   -1.508300      0.1017000      6.2100001E-02
 C   0.8098000     -0.5435000      0.5522000    
 C  -0.5859000     -0.8198000      0.4120000    
 C   -2.898500     -0.2205000     -6.6500001E-02
 C    1.473000     -0.1080000       1.664300    
 C    3.197000     -0.2751000      0.1146000    
 C    2.866300      4.9600001E-02   1.411900    
 C   -3.903700      0.6341000     -0.4129000    
 C   -1.002200       1.497100     -0.1931000    
 C   -5.084300     -0.1464000     -0.4019000    
 C   -4.698100      -1.418100     -4.7600001E-02
 H  -0.8852000      -1.846800      0.6094000    
 H    1.000900      9.2100002E-02   2.618100    
 H    3.579700      0.3857000       2.154100    
 H   -3.826900       1.686500     -0.6483000    
 H   -6.090800      0.1774000     -0.6241000    
 H   -5.228200      -2.348600      9.3400002E-02
 H   -1.283400       2.017100       1.824000    
 H  -0.6562000       3.284300      0.8305000    


%chk=000161382-Freq.chk
%nprocshared=12
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161382

0 1
S 1.990049 -1.783811 0.063320
O -3.036785 -1.380303 -0.239084
O -0.441843 2.690565 0.240465
O 5.821926 -0.695885 0.332471
O 4.796117 -2.750354 0.188476
N 4.771003 -1.451323 0.240927
N -2.129952 2.257149 1.760237
C -1.473979 0.463455 0.225400
C 1.010496 -0.235839 0.081397
C -0.418416 -0.404303 -0.028834
C -2.841863 0.001448 0.028497
C 1.860550 0.887619 0.165160
C 3.486954 -0.806950 0.195227
C 3.243710 0.566557 0.235296
C -4.088089 0.638450 -0.020517
C -1.296644 1.884186 0.718493
C -5.080352 -0.361938 -0.325589
C -4.411300 -1.568957 -0.449871
H -0.734170 -1.411778 -0.333471
H 1.460385 1.902106 0.135113
H 4.051044 1.297876 0.299162
H -4.262063 1.704661 0.105932
H -6.150331 -0.204733 -0.443022
H -4.717986 -2.588802 -0.664717
H -2.773195 1.601807 2.202576
H -2.025364 3.196798 2.144056


