%chk=000161167.chk
%nprocshared=8
%mem=21GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000161167

0 1
 S    2.043300      -1.446000      0.6993000    
 O    2.956100      -1.360800       1.824100    
 O    2.258500      -2.445700     -0.3291000    
 N   0.4335000      -1.548600       1.296700    
 N   -1.251700      0.6630000       1.528900    
 C  -0.6522000      -1.329000      0.3873000    
 C   -1.473900     -0.2145000      0.5323000    
 C   -2.528600     -4.3699998E-02 -0.3887000    
 C    2.043500      0.1420000     -8.2400002E-02
 C  -0.8536000      -2.259600     -0.6350000    
 C   -2.731600     -0.9795000      -1.417000    
 C   -1.894500      -2.085000      -1.538500    
 C   -3.356100       1.078100     -0.2433000    
 C    2.395800       1.256400      0.6570000    
 C    1.690000      0.2363000      -1.416100    
 C   -3.129700       1.984100      0.7827000    
 C    2.394500       2.508200      4.1600000E-02
 C    1.688800       1.487900      -2.031600    
 C   -2.073300       1.732500       1.634500    
 C    2.041100       2.623900      -1.302700    
 H   0.2833000      -1.157900       2.236400    
 H  -0.2220000      -3.138300     -0.7290000    
 H   -3.544000     -0.8527000      -2.129000    
 H   -2.057400      -2.808400      -2.331500    
 H   -4.181800       1.251900     -0.9295000    
 H    2.664800       1.188600       1.706400    
 H    1.415200     -0.6348000      -2.002300    
 H   -3.759400       2.856800      0.9095000    
 H    2.666200       3.393200      0.6096000    
 H    1.413300       1.578200      -3.078200    
 H   -1.847300       2.406300       2.454500    
 H    2.039200       3.598600      -1.781700    


%chk=000161167-Freq.chk
%nprocshared=8
%mem=21GB
#p freq=noraman PBEPBE/SDD

000161167

0 1
S 2.043558 -1.372723 0.701779
O 2.921229 -1.352201 2.064298
O 2.149046 -2.549334 -0.411017
N 0.243473 -1.403070 1.329161
N -1.566167 0.624316 1.639062
C -0.800502 -1.301821 0.388478
C -1.775944 -0.247704 0.582881
C -2.916363 -0.156761 -0.298463
C 2.317701 0.277636 -0.198424
C -0.962680 -2.209412 -0.675066
C -3.043223 -1.087608 -1.378713
C -2.075103 -2.083281 -1.557666
C -3.863992 0.884998 -0.028698
C 2.745861 1.374168 0.568090
C 2.092276 0.322336 -1.583984
C -3.648831 1.756998 1.041496
C 2.952803 2.599344 -0.106457
C 2.300597 1.559746 -2.237332
C -2.478133 1.592794 1.849043
C 2.724925 2.690858 -1.500765
H 0.165009 -0.665998 2.060820
H -0.230887 -3.010791 -0.809476
H -3.904980 -1.016739 -2.052184
H -2.176881 -2.799824 -2.379884
H -4.750276 0.984453 -0.666088
H 2.933919 1.264356 1.641102
H 1.792936 -0.578426 -2.128787
H -4.355139 2.560005 1.272670
H 3.294612 3.475116 0.454768
H 2.137973 1.634575 -3.317491
H -2.284903 2.271627 2.687594
H 2.888084 3.643867 -2.015551


