%chk=000141679.chk
%nprocshared=4
%mem=3GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000141679

1 1
 S   2.9000000E-03 -0.9208000     -0.4800000    
 O    1.378900       2.529600      0.5255000    
 O   -3.200000      -1.074600     -0.8396000    
 O   -3.405000      -1.601600       1.432100    
 N  -0.7084000       1.428200      3.9200000E-02
 C   -1.247600      0.2641000     -0.3075000    
 C    1.222200      0.2172000     -7.1099997E-02
 C   0.6610000       1.445300      0.1812000    
 C    2.600300     -0.2086000     -3.9799999E-02
 C   -2.632200      0.1183000     -0.4829000    
 C   -1.563800       2.636200      0.2568000    
 C   -3.447000       1.239200     -0.2829000    
 C   -2.927900       2.478800      8.0399998E-02
 C    3.149600     -0.7072000       1.141300    
 C    3.383300     -0.1216000      -1.190800    
 C    4.481800      -1.119300       1.171300    
 C    4.715600     -0.5336000      -1.160700    
 C    5.264900      -1.032500      2.0300001E-02
 C   -3.559100      -1.879500      0.2502000    
 C   -4.169500      -3.157700     -0.2431000    
 H   -1.130500       3.588500      0.5395000    
 H   -4.523400       1.143800     -0.4155000    
 H   -3.594700       3.323400      0.2257000    
 H    2.553500     -0.7806000       2.047900    
 H    2.971200      0.2660000      -2.119600    
 H    4.909700      -1.507500       2.091100    
 H    5.325600     -0.4657000      -2.056800    
 H    2.328700       2.323600      0.5692000    
 H    6.302300      -1.353200      4.3699998E-02
 H   -5.067200      -2.937400     -0.8260000    
 H   -4.451800      -3.778500      0.6120000    
 H   -3.441800      -3.705000     -0.8473000    


%chk=000141679-Freq.chk
%nprocshared=4
%mem=3GB
#p freq=noraman PBEPBE/SDD

000141679

1 1
S -0.001860 -1.153949 0.008069
O 1.369128 2.620903 -0.006368
O -3.024768 -1.333217 0.057859
O -5.360873 -0.956044 0.048271
N -0.638103 1.412366 -0.026916
C -1.217506 0.148809 0.004161
C 1.323965 0.113781 -0.022216
C 0.778377 1.382261 -0.033791
C 2.743985 -0.245977 -0.042827
C -2.624873 0.004364 0.026190
C -1.408310 2.570833 -0.032943
C -3.426271 1.167331 0.015067
C -2.792706 2.442465 -0.012244
C 3.240726 -1.331997 0.730813
C 3.650005 0.509314 -0.847823
C 4.614523 -1.645343 0.712264
C 5.024831 0.195233 -0.851529
C 5.511190 -0.878886 -0.069919
C -4.430394 -1.765762 0.069019
C -4.460221 -3.264107 0.108170
H -0.859406 3.512407 -0.053302
H -4.512923 1.085814 0.026129
H -3.402219 3.348719 -0.018718
H 2.558842 -1.912833 1.363185
H 3.274740 1.284848 -1.527824
H 4.988522 -2.480794 1.312141
H 5.711603 0.771579 -1.479472
H 2.350706 2.564414 0.131356
H 6.577734 -1.124381 -0.079115
H -3.926177 -3.681359 -0.763059
H -5.503214 -3.610003 0.105817
H -3.947452 -3.633490 1.013354


