%chk=000172260.chk
%nprocshared=4
%mem=3800MB
#p opt=(loose) PBEPBE/SDD pop=(full, Hirshfeld, NPA) GFInput nosymm

000172260

0 1
 S  -4.1400000E-02 -0.9819000      0.3885000    
 O    1.215000       1.099100       1.318500    
 O  -0.8240000       1.074900      -1.000800    
 N    2.492100     -0.1927000     -0.1378000    
 N   -2.568200     -9.6000001E-02  2.7999999E-03
 C    1.324800      0.1309000      0.5693000    
 C   -1.219300      0.1548000     -0.2881000    
 C    3.713000      0.6092000     -4.7200002E-02
 C    2.578300      -1.352500      -1.016800    
 C   -3.585600      0.7793000     -0.5666000    
 C   -3.084700      -1.224900      0.7781000    
 H    4.524800     -2.4300000E-02  0.3216000    
 H    3.574900       1.450700      0.6363000    
 H    3.958700      0.9916000      -1.042100    
 H    2.484900      -2.265000     -0.4205000    
 H    3.540500      -1.368800      -1.537900    
 H    1.781000      -1.313400      -1.764600    
 H   -4.183000       1.202300      0.2465000    
 H   -4.228700      0.1876000      -1.224700    
 H   -3.146300       1.597300      -1.143000    
 H   -3.906700     -0.8761000       1.411000    
 H   -2.336500      -1.683100       1.424500    
 H   -3.462400      -1.975300      7.7200003E-02


%chk=000172260-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000172260

0 1
S -0.107533 -1.182190 -1.311691
O 0.380252 0.751116 0.620385
O -1.901177 0.567054 -2.470526
N 2.277993 -0.347406 -0.194119
N -2.496771 -0.071688 -0.299788
C 0.921429 -0.097332 -0.137022
C -1.684968 -0.055920 -1.406048
C 3.166145 0.371461 0.742318
C 2.926991 -1.304073 -1.105033
C -3.661583 0.841734 -0.282978
C -2.252568 -0.805724 0.953307
H 3.750497 -0.349838 1.344090
H 2.551618 0.993284 1.409431
H 3.866467 1.021955 0.184963
H 3.166064 -2.255750 -0.591725
H 3.867631 -0.863196 -1.482214
H 2.277188 -1.518121 -1.968078
H -3.553460 1.573814 0.538946
H -4.592924 0.265298 -0.131019
H -3.713727 1.375061 -1.242856
H -1.797983 -0.140640 1.708876
H -1.572160 -1.651324 0.774360
H -3.216221 -1.193878 1.330618


