%chk=000106349.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000106349

0 1
 S    3.648500      -1.721500     -5.7500001E-02
 O  -0.7884000       2.991800      6.7000002E-02
 O    4.453300      -1.275400       1.290400    
 O    3.436800      -3.156000      2.1800000E-02
 O    4.307300      -1.122600      -1.203700    
 N   -1.815700      0.5936000      0.4555000    
 C   0.6026000      0.9895000      8.2500003E-02
 C    1.902500      0.4431000     -3.9799999E-02
 C  -0.4835000      0.1312000      0.3195000    
 C    2.077800     -0.9453000      7.8299999E-02
 C  -0.2908000      -1.245700      0.4341000    
 C   0.9873000      -1.782900      0.3138000    
 C   0.4273000       2.377900     -3.5500001E-02
 C    2.988600       1.301300     -0.2769000    
 C    1.517900       3.215600     -0.2711000    
 C    2.796000       2.678300     -0.3914000    
 C   -3.057000      6.8000001E-03  0.1616000    
 C   -4.189500      0.3437000      0.9090000    
 C   -3.168700     -0.9187000     -0.8802000    
 C   -5.422400     -0.2399000      0.6174000    
 C   -4.401700      -1.502100      -1.171900    
 C   -5.528500      -1.162700     -0.4230000    
 H   -1.108500      -1.927600      0.6510000    
 H    1.092800      -2.858300      0.4203000    
 H    4.018000      0.9705000     -0.3337000    
 H   -1.887900       1.505800      0.8960000    
 H    1.390300       4.291200     -0.3614000    
 H    3.645600       3.333000     -0.5636000    
 H   -4.120700       1.061000       1.723200    
 H   -2.315600      -1.183600      -1.499100    
 H  -0.6847000       3.952000     -4.5499999E-02
 H   -6.299800      2.4400000E-02   1.200200    
 H   -4.485900      -2.216100      -1.985900    
 H    4.047700      -1.564900       2.141300    
 H   -6.488800      -1.615900     -0.6511000    


%chk=000106349-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000106349

0 1
S 3.704288 -1.740987 -0.059281
O -0.869856 3.040242 0.161027
O 4.296471 -1.251798 1.649225
O 3.486631 -3.344395 -0.101843
O 4.741944 -1.065022 -1.110093
N -1.879568 0.635754 0.168335
C 0.551446 1.049169 0.048444
C 1.906615 0.515670 -0.026424
C -0.585221 0.129252 0.134818
C 2.046814 -0.910771 0.020201
C -0.339781 -1.264476 0.210520
C 0.967312 -1.781917 0.165792
C 0.429781 2.483519 0.038928
C 3.026489 1.402333 -0.140871
C 1.533552 3.334783 -0.069384
C 2.838602 2.783272 -0.165425
C -3.113249 -0.064466 0.037772
C -4.231944 0.427330 0.764284
C -3.291659 -1.162659 -0.847074
C -5.499054 -0.174929 0.619083
C -4.560616 -1.765749 -0.975832
C -5.670487 -1.281638 -0.244689
H -1.176828 -1.951190 0.344974
H 1.142737 -2.859966 0.236815
H 4.032897 0.986120 -0.221453
H -1.941490 1.658503 0.270618
H 1.392048 4.422988 -0.076012
H 3.700036 3.452418 -0.254282
H -4.097152 1.271272 1.451082
H -2.457065 -1.517534 -1.458664
H -0.841218 4.026567 0.127426
H -6.350130 0.214415 1.188668
H -4.684284 -2.608695 -1.664795
H 5.246556 -1.561676 1.721007
H -6.652416 -1.754241 -0.351297


